New Basis Set Exchange: An Open, Up-to-Date Resource for the Molecular Sciences Community
The Basis Set Exchange (BSE) has been a prominent fixture in the quantum chemistry community. First publicly available in 2007, it is recognized by both users and basis set creators as the de facto source for information related to basis sets. This popular resource has been rewritten, utilizing mode...
Saved in:
| Published in | Journal of chemical information and modeling Vol. 59; no. 11; pp. 4814 - 4820 |
|---|---|
| Main Authors | , , , , |
| Format | Journal Article |
| Language | English |
| Published |
United States
American Chemical Society
25.11.2019
|
| Subjects | |
| Online Access | Get full text |
| ISSN | 1549-9596 1549-960X 1549-960X |
| DOI | 10.1021/acs.jcim.9b00725 |
Cover
| Abstract | The Basis Set Exchange (BSE) has been a prominent fixture in the quantum chemistry community. First publicly available in 2007, it is recognized by both users and basis set creators as the de facto source for information related to basis sets. This popular resource has been rewritten, utilizing modern software design and best practices. The basis set data has been separated into a stand-alone library with an accessible API, and the Web site has been updated to use the current generation of web development libraries. The general layout and workflow of the Web site is preserved, while helpful features requested by the user community have been added. Overall, this design should increase adaptability and lend itself well into the future as a dependable resource for the computational chemistry community. This article will discuss the decision to rewrite the BSE, the new architecture and design, and the new features that have been added. |
|---|---|
| AbstractList | The Basis Set Exchange (BSE) has been a prominent fixture in the quantum chemistry community. First publicly available in 2007, it is recognized by both users and basis set creators as the de facto source for information related to basis sets. This popular resource has been rewritten, utilizing modern software design and best practices. The basis set data has been separated into a stand-alone library with an accessible API, and the Web site has been updated to use the current generation of web development libraries. The general layout and workflow of the Web site is preserved, while helpful features requested by the user community have been added. Overall, this design should increase adaptability and lend itself well into the future as a dependable resource for the computational chemistry community. This article will discuss the decision to rewrite the BSE, the new architecture and design, and the new features that have been added. The Basis Set Exchange (BSE) has been a prominent fixture in the quantum chemistry community. First publicly available in 2007, it is recognized by both users and basis set creators as the de facto source for information related to basis sets. This popular resource has been rewritten, utilizing modern software design and best practices. The basis set data has been separated into a stand-alone library with an accessible API, and the Web site has been updated to use the current generation of web development libraries. The general layout and workflow of the Web site is preserved, while helpful features requested by the user community have been added. Overall, this design should increase adaptability and lend itself well into the future as a dependable resource for the computational chemistry community. This article will discuss the decision to rewrite the BSE, the new architecture and design, and the new features that have been added.The Basis Set Exchange (BSE) has been a prominent fixture in the quantum chemistry community. First publicly available in 2007, it is recognized by both users and basis set creators as the de facto source for information related to basis sets. This popular resource has been rewritten, utilizing modern software design and best practices. The basis set data has been separated into a stand-alone library with an accessible API, and the Web site has been updated to use the current generation of web development libraries. The general layout and workflow of the Web site is preserved, while helpful features requested by the user community have been added. Overall, this design should increase adaptability and lend itself well into the future as a dependable resource for the computational chemistry community. This article will discuss the decision to rewrite the BSE, the new architecture and design, and the new features that have been added. |
| Author | Didier, Brett Windus, Theresa L Gibson, Tara D Pritchard, Benjamin P Altarawy, Doaa |
| AuthorAffiliation | Department of Computer and Systems Engineering Alexandria University Molecular Sciences Software Institute |
| AuthorAffiliation_xml | – name: Molecular Sciences Software Institute – name: Department of Computer and Systems Engineering – name: Alexandria University |
| Author_xml | – sequence: 1 givenname: Benjamin P orcidid: 0000-0003-2136-0606 surname: Pritchard fullname: Pritchard, Benjamin P email: bpp4@vt.edu organization: Molecular Sciences Software Institute – sequence: 2 givenname: Doaa orcidid: 0000-0002-7795-4422 surname: Altarawy fullname: Altarawy, Doaa organization: Alexandria University – sequence: 3 givenname: Brett surname: Didier fullname: Didier, Brett – sequence: 4 givenname: Tara D surname: Gibson fullname: Gibson, Tara D – sequence: 5 givenname: Theresa L orcidid: 0000-0001-6065-3167 surname: Windus fullname: Windus, Theresa L organization: Molecular Sciences Software Institute |
| BackLink | https://www.ncbi.nlm.nih.gov/pubmed/31600445$$D View this record in MEDLINE/PubMed |
| BookMark | eNp9kctvEzEQxi1URB9w54QsceHQDfb6FXMroUClQqU-JDitHO-YOtq1g-0V9L_HJUkPleA0I83vG30z3yHaCzEAQi8pmVHS0rfG5tnK-nGml4SoVjxBB1Rw3WhJvu3teqHlPjrMeUUIY1q2z9A-o5IQzsUB-v4VfuH3JvuMr6Dg09_21oQf8A6fBHyxhnCMb9ZNic0HUwBfQo5TsoBdTLjcAv4SB7DTYBK-sh6ChYwXcRyn4Mvdc_TUmSHDi209QjcfT68Xn5vzi09ni5PzxnChSgPVk2PWWWUUVbLXc8PpEpwzmljeS86Z41otqaJM95TLlti5EKJ3UmpFLDtCbzZ71yn-nCCXbvTZwjCYAHHKXcuIIEwoLSr6-hG6qveE6q5SdC75nIq2Uq-21LQcoe_WyY8m3XW7p1WAbACbYs4J3ANCSXefS1dz6e5z6ba5VIl8JLG-mOJjKMn44X_C443w72Tn9p_4H65CoG8 |
| CitedBy_id | crossref_primary_10_3390_ijms232314719 crossref_primary_10_1021_acs_jpca_2c05267 crossref_primary_10_1007_s10853_023_08599_w crossref_primary_10_1063_5_0047999 crossref_primary_10_1002_cphc_202000529 crossref_primary_10_1021_acs_orglett_4c00797 crossref_primary_10_1021_acs_jctc_1c01180 crossref_primary_10_1021_acsabm_0c00501 crossref_primary_10_1021_acs_jpca_3c02874 crossref_primary_10_1021_acs_cgd_0c01474 crossref_primary_10_1016_j_jmgm_2020_107659 crossref_primary_10_1080_00268976_2021_1979675 crossref_primary_10_1021_acs_jpca_1c01022 crossref_primary_10_1021_acs_jpca_2c03072 crossref_primary_10_1002_jcc_27338 crossref_primary_10_1021_acs_joc_2c00724 crossref_primary_10_1039_D3CP06098E crossref_primary_10_1039_D3SC00974B crossref_primary_10_1063_5_0036404 crossref_primary_10_31857_S0002337X23110027 crossref_primary_10_1021_acs_inorgchem_4c02568 crossref_primary_10_1016_j_jct_2023_107151 crossref_primary_10_1021_acs_jpca_0c06038 crossref_primary_10_1002_jcc_27361 crossref_primary_10_1021_acscatal_1c02540 crossref_primary_10_1002_zaac_202000287 crossref_primary_10_1080_00958972_2023_2233107 crossref_primary_10_1103_PhysRevResearch_5_013200 crossref_primary_10_1039_D1CP03702A crossref_primary_10_1134_S0036029523020222 crossref_primary_10_1016_j_cplett_2023_140856 crossref_primary_10_1103_PhysRevD_107_063002 crossref_primary_10_1021_acs_jpcb_1c04291 crossref_primary_10_1016_j_jcat_2023_115142 crossref_primary_10_1016_j_micromeso_2020_110820 crossref_primary_10_1039_D4DT01170H crossref_primary_10_3390_ijms23031263 crossref_primary_10_1021_acs_jctc_1c00287 crossref_primary_10_1016_j_jhazmat_2021_125745 crossref_primary_10_1063_5_0014639 crossref_primary_10_1063_5_0241872 crossref_primary_10_1002_chem_202401070 crossref_primary_10_1021_acs_jctc_3c01279 crossref_primary_10_1016_j_cjche_2021_04_026 crossref_primary_10_1021_acsphyschemau_4c00101 crossref_primary_10_1039_D4DT03177F crossref_primary_10_1021_acs_jctc_2c00933 crossref_primary_10_1021_acscatal_1c01626 crossref_primary_10_1080_00268976_2023_2293232 crossref_primary_10_1039_D3CP02445H crossref_primary_10_1016_j_jphotochem_2024_115545 crossref_primary_10_1088_1361_6455_ab94c8 crossref_primary_10_1063_5_0082731 crossref_primary_10_1007_s13738_023_02839_1 crossref_primary_10_1002_anie_202201209 crossref_primary_10_1021_acs_jpca_3c02834 crossref_primary_10_1021_acs_jpca_2c07870 crossref_primary_10_3390_ijms24108932 crossref_primary_10_1016_j_jms_2022_111623 crossref_primary_10_1002_jcc_27377 crossref_primary_10_1016_j_fuel_2020_118491 crossref_primary_10_1021_jacs_1c01146 crossref_primary_10_1063_1674_0068_cjcp2408116 crossref_primary_10_1186_s13020_023_00829_2 crossref_primary_10_1021_acs_jctc_1c00285 crossref_primary_10_1021_acs_jctc_2c00953 crossref_primary_10_1021_acs_jpca_0c10972 crossref_primary_10_2494_photopolymer_35_179 crossref_primary_10_1016_j_scitotenv_2024_176350 crossref_primary_10_1039_D0DT04183A crossref_primary_10_1016_j_poly_2024_116834 crossref_primary_10_3390_molecules26010113 crossref_primary_10_1038_s41598_020_77807_3 crossref_primary_10_1002_anie_202317416 crossref_primary_10_1021_acs_macromol_3c02454 crossref_primary_10_1021_acs_jpca_3c08167 crossref_primary_10_1021_acsomega_1c02257 crossref_primary_10_1016_j_apsusc_2023_156733 crossref_primary_10_1016_j_corsci_2023_111318 crossref_primary_10_1016_j_jorganchem_2023_122999 crossref_primary_10_1063_5_0142515 crossref_primary_10_1021_acs_jpca_2c06998 crossref_primary_10_1021_jacs_3c12705 crossref_primary_10_1016_j_cplett_2021_138824 crossref_primary_10_31857_S0207401X23040027 crossref_primary_10_1016_j_jorganchem_2022_122282 crossref_primary_10_1038_s41467_023_40135_x crossref_primary_10_1016_j_fuel_2022_126654 crossref_primary_10_1021_acs_jpclett_1c01723 crossref_primary_10_1063_5_0196383 crossref_primary_10_1007_s11356_024_34140_w crossref_primary_10_1088_1367_2630_ab6eae crossref_primary_10_1021_jacs_4c17015 crossref_primary_10_1038_s41467_022_28869_6 crossref_primary_10_1021_acs_jctc_5c00047 crossref_primary_10_1016_j_saa_2023_123791 crossref_primary_10_1021_acs_jpca_2c05655 crossref_primary_10_1021_acs_jpca_3c05506 crossref_primary_10_1080_00268976_2023_2168468 crossref_primary_10_1039_D3QO01021J crossref_primary_10_1016_j_molliq_2024_125943 crossref_primary_10_1016_j_chemphys_2021_111316 crossref_primary_10_1016_j_jmgm_2022_108234 crossref_primary_10_1021_acs_jctc_4c01062 crossref_primary_10_1103_PhysRevA_109_013109 crossref_primary_10_1039_D4NJ02362E crossref_primary_10_1016_j_envres_2025_121375 crossref_primary_10_1016_j_tca_2025_179938 crossref_primary_10_1016_j_jhazmat_2022_128262 crossref_primary_10_1002_chem_202303861 crossref_primary_10_1103_PhysRevA_111_022801 crossref_primary_10_1063_5_0063629 crossref_primary_10_1002_anie_202008630 crossref_primary_10_1021_acs_inorgchem_2c04242 crossref_primary_10_1021_acs_jctc_5c00070 crossref_primary_10_3390_molecules27092668 crossref_primary_10_3762_bjoc_19_4 crossref_primary_10_1007_s10953_021_01112_4 crossref_primary_10_1002_ange_202405584 crossref_primary_10_1002_chem_202401968 crossref_primary_10_1016_j_comptc_2021_113235 crossref_primary_10_3390_ijms242216193 crossref_primary_10_1016_j_jwpe_2024_105998 crossref_primary_10_1016_j_jece_2024_114364 crossref_primary_10_1021_acs_jpcb_4c06308 crossref_primary_10_3390_coatings13091568 crossref_primary_10_1021_acs_jpcc_0c07672 crossref_primary_10_1088_1402_4896_ad2140 crossref_primary_10_1021_acs_organomet_0c00486 crossref_primary_10_1039_D4QO00147H crossref_primary_10_1002_cssc_202401105 crossref_primary_10_1039_D4CP00897A crossref_primary_10_1063_5_0059128 crossref_primary_10_3390_molecules26071988 crossref_primary_10_1021_acs_jpcb_1c09911 crossref_primary_10_1016_j_jphotochem_2022_114059 crossref_primary_10_1002_qua_27517 crossref_primary_10_1016_j_conbuildmat_2021_126032 crossref_primary_10_1021_acs_jpca_2c05623 crossref_primary_10_1007_s11244_021_01443_y crossref_primary_10_1021_acs_inorgchem_3c00911 crossref_primary_10_1002_ange_202219277 crossref_primary_10_1021_acsorginorgau_4c00038 crossref_primary_10_1039_D2CP05060A crossref_primary_10_1021_acs_jpcc_4c07872 crossref_primary_10_1021_acsorginorgau_4c00034 crossref_primary_10_1039_D0DT04230G crossref_primary_10_3390_catal13060990 crossref_primary_10_1002_jcc_26458 crossref_primary_10_1016_j_cej_2024_152561 crossref_primary_10_1002_jcc_27300 crossref_primary_10_1039_D0CE00541J crossref_primary_10_1021_acs_jpca_4c00008 crossref_primary_10_1038_s41467_023_39257_z crossref_primary_10_1039_D3CP04803A crossref_primary_10_1016_j_molstruc_2022_134523 crossref_primary_10_1016_j_rechem_2021_100259 crossref_primary_10_1016_j_nanoen_2022_106966 crossref_primary_10_1021_acs_organomet_1c00213 crossref_primary_10_3390_molecules28237729 crossref_primary_10_3390_molecules27227704 crossref_primary_10_1039_D0CP03466E crossref_primary_10_3390_sci3040041 crossref_primary_10_1063_5_0085817 crossref_primary_10_1021_jacs_2c09341 crossref_primary_10_1002_jcc_26472 crossref_primary_10_1103_PhysRevB_104_085112 crossref_primary_10_1021_acsomega_2c02506 crossref_primary_10_1021_acs_jctc_0c00806 crossref_primary_10_1039_D3CP01559A crossref_primary_10_1063_5_0151009 crossref_primary_10_1039_D2CE01063A crossref_primary_10_1039_D4DT00453A crossref_primary_10_1021_acs_jpclett_2c00741 crossref_primary_10_1016_j_jenvman_2023_119545 crossref_primary_10_1002_wcms_1517 crossref_primary_10_55959_MSU0579_9384_2_2024_65_4_343_351 crossref_primary_10_3390_nano11040860 crossref_primary_10_1063_5_0213317 crossref_primary_10_1039_D2CP00465H crossref_primary_10_1016_j_ijms_2024_117373 crossref_primary_10_1038_s41598_022_12990_z crossref_primary_10_1103_PhysRevLett_127_126403 crossref_primary_10_1016_j_comptc_2024_115047 crossref_primary_10_1021_acs_jmedchem_2c01303 crossref_primary_10_1134_S0022476621060032 crossref_primary_10_1021_acs_jcim_0c00898 crossref_primary_10_1021_acs_oprd_0c00222 crossref_primary_10_1007_s43630_022_00204_4 crossref_primary_10_1021_acs_jpca_0c01289 crossref_primary_10_1016_j_apsusc_2020_146595 crossref_primary_10_1039_D1DT00235J crossref_primary_10_1016_j_comptc_2021_113294 crossref_primary_10_1021_acs_inorgchem_1c03004 crossref_primary_10_1021_acs_jpca_2c06908 crossref_primary_10_1039_D0CP03152F crossref_primary_10_1002_aic_18559 crossref_primary_10_1016_j_comptc_2020_112901 crossref_primary_10_1021_acs_jctc_2c01036 crossref_primary_10_3233_MGC_210034 crossref_primary_10_1039_D2CP02773A crossref_primary_10_1007_s00894_023_05604_6 crossref_primary_10_1039_D2OB00860B crossref_primary_10_1016_j_cpc_2020_107651 crossref_primary_10_1021_acs_jmedchem_4c01852 crossref_primary_10_1063_5_0145521 crossref_primary_10_1039_D4CP01393J crossref_primary_10_1021_acs_inorgchem_1c03011 crossref_primary_10_1016_j_molstruc_2021_131150 crossref_primary_10_1021_acs_jctc_1c00788 crossref_primary_10_1002_ejic_202300540 crossref_primary_10_1016_j_est_2024_110833 crossref_primary_10_1039_D3OB01055D crossref_primary_10_1063_5_0043615 crossref_primary_10_1002_chem_202302933 crossref_primary_10_1063_5_0005781 crossref_primary_10_1021_acsaelm_0c00867 crossref_primary_10_1016_j_ijms_2024_117281 crossref_primary_10_1088_1361_6455_ac4ff2 crossref_primary_10_3390_inorganics8050035 crossref_primary_10_1063_5_0167763 crossref_primary_10_1021_acsomega_4c02645 crossref_primary_10_1039_D1CP01471D crossref_primary_10_1039_D4CY01414F crossref_primary_10_1021_acs_jpca_2c01234 crossref_primary_10_1016_j_jechem_2021_08_031 crossref_primary_10_3390_molecules27010307 crossref_primary_10_3390_molecules27185829 crossref_primary_10_1021_acs_inorgchem_0c03601 crossref_primary_10_1021_acs_jctc_4c00582 crossref_primary_10_1021_acs_cgd_2c01195 crossref_primary_10_1021_acs_jpca_3c04282 crossref_primary_10_1016_j_jlumin_2021_118270 crossref_primary_10_1016_j_poly_2022_115739 crossref_primary_10_1021_acs_jpca_3c07797 crossref_primary_10_1016_j_chemphys_2023_111819 crossref_primary_10_1021_acs_inorgchem_0c01426 crossref_primary_10_1021_acs_jctc_0c01282 crossref_primary_10_1039_D1NJ01963E crossref_primary_10_1016_j_cplett_2024_141630 crossref_primary_10_1021_acs_inorgchem_3c01042 crossref_primary_10_1016_j_dyepig_2024_112548 crossref_primary_10_1021_acs_jctc_4c00152 crossref_primary_10_1002_jcc_26970 crossref_primary_10_1103_PhysRevResearch_3_033030 crossref_primary_10_1016_j_molstruc_2024_140908 crossref_primary_10_1016_j_optmat_2021_111661 crossref_primary_10_1016_j_apsusc_2024_160748 crossref_primary_10_1016_j_cplett_2024_141621 crossref_primary_10_3390_molecules28207019 crossref_primary_10_1021_acs_jctc_3c00732 crossref_primary_10_1007_s11224_020_01676_9 crossref_primary_10_1039_D1CP02056K crossref_primary_10_1021_jacs_3c10627 crossref_primary_10_1021_acs_jpca_1c03174 crossref_primary_10_1007_s00214_021_02797_y crossref_primary_10_1039_D2CP03796C crossref_primary_10_1021_acs_jpcc_2c01608 crossref_primary_10_1002_poc_4554 crossref_primary_10_1002_poc_4558 crossref_primary_10_1021_acs_jpca_0c03886 crossref_primary_10_1021_acs_jpca_0c03881 crossref_primary_10_1002_jcc_26990 crossref_primary_10_1039_D1NJ02639A crossref_primary_10_1039_D3QO00093A crossref_primary_10_3390_molecules26154477 crossref_primary_10_1016_j_ica_2021_120554 crossref_primary_10_1016_j_molstruc_2024_139958 crossref_primary_10_1016_j_ijhydene_2020_07_128 crossref_primary_10_1063_5_0141182 crossref_primary_10_1016_j_micpath_2024_107230 crossref_primary_10_1021_acs_est_4c00718 crossref_primary_10_1021_acs_jpca_1c08042 crossref_primary_10_3390_inorganics9040028 crossref_primary_10_1016_j_optmat_2024_115279 crossref_primary_10_1021_acs_jctc_4c00994 crossref_primary_10_1107_S2052252523000052 crossref_primary_10_1021_acs_jpca_2c01617 crossref_primary_10_1002_ejic_202400660 crossref_primary_10_1021_acs_jctc_1c01206 crossref_primary_10_3390_molecules28124688 crossref_primary_10_1093_mnras_stae735 crossref_primary_10_1016_j_ica_2024_122320 crossref_primary_10_1002_ejic_202400666 crossref_primary_10_1063_5_0231100 crossref_primary_10_1016_j_jms_2022_111661 crossref_primary_10_1002_wcms_1490 crossref_primary_10_1021_acs_jpca_4c06272 crossref_primary_10_1021_jacs_1c12198 crossref_primary_10_1021_acs_jpca_3c08229 crossref_primary_10_1038_s41467_024_48277_2 crossref_primary_10_1016_j_jcp_2023_112460 crossref_primary_10_1021_acs_iecr_4c04984 crossref_primary_10_1039_D3CP04149B crossref_primary_10_1039_D4DT01299B crossref_primary_10_31857_S0044457X24060058 crossref_primary_10_1016_j_cplett_2023_140443 crossref_primary_10_1021_acs_iecr_3c01029 crossref_primary_10_1002_poc_4514 crossref_primary_10_1016_j_memsci_2025_123885 crossref_primary_10_1016_j_ica_2024_122333 crossref_primary_10_1016_j_ijhydene_2023_09_024 crossref_primary_10_1016_j_cej_2022_139723 crossref_primary_10_1021_acs_jctc_9b01235 crossref_primary_10_1021_jacs_1c03236 crossref_primary_10_1080_00202967_2023_2264620 crossref_primary_10_1039_D3QI01537H crossref_primary_10_1016_j_jphotochem_2023_115168 crossref_primary_10_1021_acs_jpca_1c10354 crossref_primary_10_1021_acs_iecr_4c01488 crossref_primary_10_1039_D1SC01007G crossref_primary_10_1016_j_porgcoat_2023_107810 crossref_primary_10_1021_acs_jpcc_3c02732 crossref_primary_10_1021_jasms_1c00320 crossref_primary_10_1016_j_ica_2024_122343 crossref_primary_10_1016_j_mtcomm_2021_102603 crossref_primary_10_1039_D4DD00344F crossref_primary_10_1039_D1CP01738A crossref_primary_10_1021_jacsau_2c00659 crossref_primary_10_1021_acs_jctc_2c00131 crossref_primary_10_1016_j_aichem_2023_100005 crossref_primary_10_1016_j_molstruc_2023_137432 crossref_primary_10_1080_00268976_2022_2130111 crossref_primary_10_1039_D2RA00093H crossref_primary_10_1016_j_molliq_2024_124124 crossref_primary_10_1021_acscatal_1c00389 crossref_primary_10_1016_j_apsusc_2020_146553 crossref_primary_10_1039_D0DT00927J crossref_primary_10_1021_acs_inorgchem_0c02783 crossref_primary_10_1021_acs_jctc_4c00558 crossref_primary_10_1039_D4CP01661K crossref_primary_10_1149_2162_8777_ab8d91 crossref_primary_10_1063_5_0052105 crossref_primary_10_1002_slct_202404896 crossref_primary_10_1016_j_jorganchem_2024_123284 crossref_primary_10_1063_5_0053450 crossref_primary_10_1063_5_0066753 crossref_primary_10_1002_ejic_202200155 crossref_primary_10_1021_acs_jctc_4c00560 crossref_primary_10_1063_5_0184737 crossref_primary_10_1103_PhysRevA_109_022807 crossref_primary_10_1039_C9CP07028A crossref_primary_10_1039_D2CP04001H crossref_primary_10_1016_j_jscs_2021_101272 crossref_primary_10_1021_acs_jctc_0c00337 crossref_primary_10_1002_chem_202401575 crossref_primary_10_1002_chem_202003167 crossref_primary_10_1039_D0CP06482C crossref_primary_10_1007_s43630_021_00144_5 crossref_primary_10_1021_acs_inorgchem_2c02543 crossref_primary_10_1063_5_0178052 crossref_primary_10_3390_molecules28124676 crossref_primary_10_1039_D4CP03882G crossref_primary_10_1080_00268976_2023_2175595 crossref_primary_10_1002_cphc_202100383 crossref_primary_10_1021_acs_inorgchem_1c02533 crossref_primary_10_1139_cjc_2023_0215 crossref_primary_10_1007_s00706_020_02682_7 crossref_primary_10_1021_acscatal_3c01245 crossref_primary_10_1002_jmd2_12185 crossref_primary_10_1039_D3QI00731F crossref_primary_10_1002_elsa_202100088 crossref_primary_10_1016_j_jms_2022_111687 crossref_primary_10_1021_acs_jpca_4c08437 crossref_primary_10_3390_molecules25194512 crossref_primary_10_1039_D4RA07769E crossref_primary_10_1016_j_cej_2023_147690 crossref_primary_10_1021_acsami_2c07151 crossref_primary_10_1016_j_comptc_2020_112972 crossref_primary_10_1016_j_molstruc_2023_136738 crossref_primary_10_1007_s10534_024_00638_6 crossref_primary_10_3390_ph16010045 crossref_primary_10_1021_acs_cgd_1c00920 crossref_primary_10_1021_acs_jpclett_1c00364 crossref_primary_10_1021_acs_jpca_0c02804 crossref_primary_10_1021_acs_jpclett_1c00360 crossref_primary_10_1103_PhysRevD_109_115008 crossref_primary_10_1016_j_snb_2020_128987 crossref_primary_10_1021_acs_jpca_1c06815 crossref_primary_10_1007_s00894_024_06058_0 crossref_primary_10_1021_acs_inorgchem_4c02418 crossref_primary_10_1002_qua_26359 crossref_primary_10_1016_j_jorganchem_2022_122551 crossref_primary_10_2478_acph_2024_0033 crossref_primary_10_1016_j_jms_2021_111440 crossref_primary_10_1021_acs_jpclett_1c02545 crossref_primary_10_1016_j_mencom_2021_03_013 crossref_primary_10_1016_j_micromeso_2023_112962 crossref_primary_10_1039_D0CP06175A crossref_primary_10_1039_D4DT01097C crossref_primary_10_1063_5_0012519 crossref_primary_10_1002_jcc_26153 crossref_primary_10_1063_1_5144298 crossref_primary_10_1016_j_saa_2022_122012 crossref_primary_10_1039_D2DT03422K crossref_primary_10_1039_D3CP03326K crossref_primary_10_1039_D3DT03281G crossref_primary_10_1134_S0036029521020270 crossref_primary_10_1016_j_inoche_2023_111429 crossref_primary_10_1063_5_0073941 crossref_primary_10_1002_ijch_202100027 crossref_primary_10_1021_acs_jpca_0c10884 crossref_primary_10_2139_ssrn_4122112 crossref_primary_10_1016_j_jfluchem_2022_110042 crossref_primary_10_1080_00958972_2021_1994963 crossref_primary_10_1002_cphc_202400758 crossref_primary_10_1016_j_comptc_2023_114132 crossref_primary_10_1021_acs_jpca_4c06334 crossref_primary_10_1007_s10967_022_08620_7 crossref_primary_10_1021_acs_jpca_3c04963 crossref_primary_10_1016_j_jphotochem_2022_114189 crossref_primary_10_1016_j_cplett_2022_139436 crossref_primary_10_1021_acs_jctc_1c00167 crossref_primary_10_1002_chem_201904166 crossref_primary_10_1016_j_cplett_2023_140701 crossref_primary_10_1021_acs_jpca_2c06433 crossref_primary_10_1021_acs_jpca_1c02422 crossref_primary_10_1021_acs_organomet_3c00258 crossref_primary_10_1002_cphc_202300986 crossref_primary_10_1016_j_bpj_2022_08_045 crossref_primary_10_1002_cphc_202000444 crossref_primary_10_1039_D4DT01710B crossref_primary_10_1002_qua_26392 crossref_primary_10_1021_acs_joc_2c01982 crossref_primary_10_1021_acs_jpca_3c08031 crossref_primary_10_1063_1_5142048 crossref_primary_10_1002_ceur_202400093 crossref_primary_10_1016_j_combustflame_2020_11_029 crossref_primary_10_1021_acscatal_3c01405 crossref_primary_10_3390_molecules29133074 crossref_primary_10_1021_acsaelm_1c00975 crossref_primary_10_1039_D4CP00423J crossref_primary_10_1080_10406638_2023_2276865 crossref_primary_10_1021_acs_langmuir_2c00978 crossref_primary_10_1002_qua_26393 crossref_primary_10_1002_aoc_7681 crossref_primary_10_1021_acs_cgd_1c00977 crossref_primary_10_1063_5_0014753 crossref_primary_10_1021_jacsau_1c00568 crossref_primary_10_1016_j_saa_2023_123625 crossref_primary_10_1021_acs_jctc_1c01036 crossref_primary_10_1134_S0036029524701283 crossref_primary_10_1002_jcc_26196 crossref_primary_10_1039_D3CY01493B crossref_primary_10_1021_acs_jpca_1c02880 crossref_primary_10_1107_S2052252524000915 crossref_primary_10_1002_jcc_27047 crossref_primary_10_1016_j_electacta_2020_137370 crossref_primary_10_1021_acs_jcim_1c01307 crossref_primary_10_3390_molecules25030635 crossref_primary_10_1021_acs_jpcc_2c01298 crossref_primary_10_1016_j_molstruc_2023_135857 crossref_primary_10_1021_acs_jctc_1c01027 crossref_primary_10_1002_pca_3284 crossref_primary_10_1002_qua_27269 crossref_primary_10_1039_D0CP04525J crossref_primary_10_2139_ssrn_4191110 crossref_primary_10_1016_j_molliq_2022_118525 crossref_primary_10_22227_1997_0935_2022_9_1175_1186 crossref_primary_10_1016_j_freeradbiomed_2021_12_308 crossref_primary_10_1016_j_cplett_2020_137571 crossref_primary_10_1002_qua_26745 crossref_primary_10_1002_qua_26743 crossref_primary_10_1021_acs_jctc_0c00704 crossref_primary_10_1016_j_ecoenv_2025_118091 crossref_primary_10_3390_molecules26164967 crossref_primary_10_1134_S0022476622100067 crossref_primary_10_1007_s10853_023_09007_z crossref_primary_10_1063_1674_0068_cjcp2310102 crossref_primary_10_1063_5_0160074 crossref_primary_10_1021_acs_jcim_4c01040 crossref_primary_10_1039_D2GC04418H crossref_primary_10_1007_s10337_024_04348_6 crossref_primary_10_1021_acs_jpcb_4c04034 crossref_primary_10_1039_D3DT00256J crossref_primary_10_1039_D4CP01975J crossref_primary_10_1021_acs_jpca_9b11900 crossref_primary_10_1002_jcc_26521 crossref_primary_10_1021_acs_jnatprod_4c00852 crossref_primary_10_1063_5_0142652 crossref_primary_10_1039_D2CE01165D crossref_primary_10_1021_acs_jpca_0c10814 crossref_primary_10_1080_10826076_2023_2223640 crossref_primary_10_1016_j_chemphys_2025_112682 crossref_primary_10_1016_j_hydromet_2020_105550 crossref_primary_10_1021_acs_jpca_2c07743 crossref_primary_10_1002_ejic_202200737 crossref_primary_10_1063_5_0130668 crossref_primary_10_1021_acs_jctc_4c01143 crossref_primary_10_1016_j_molstruc_2024_139226 crossref_primary_10_1002_cphc_202300091 crossref_primary_10_1021_acs_inorgchem_4c03348 crossref_primary_10_1016_j_ijms_2024_117201 crossref_primary_10_1021_acsomega_0c03422 crossref_primary_10_1039_D3SC00944K crossref_primary_10_1021_acs_jpca_2c06403 crossref_primary_10_1016_j_jddst_2023_105292 crossref_primary_10_1039_D2CP01740G crossref_primary_10_1016_j_cplett_2021_138739 crossref_primary_10_1002_qua_26771 crossref_primary_10_1016_j_foodhyd_2024_110552 crossref_primary_10_1021_acs_jpcb_4c03167 crossref_primary_10_1039_D1SE02040D crossref_primary_10_3390_ijms23158816 crossref_primary_10_1063_5_0052619 crossref_primary_10_1016_j_jhazmat_2022_130676 crossref_primary_10_1016_j_jqsrt_2020_107422 crossref_primary_10_1016_j_saa_2023_123647 crossref_primary_10_1039_D3DT00210A crossref_primary_10_1007_s00894_020_04374_9 crossref_primary_10_1021_acs_jpca_4c03220 crossref_primary_10_3390_cryst14060500 crossref_primary_10_1021_acs_jpca_0c07624 crossref_primary_10_1088_1361_6455_ad2227 crossref_primary_10_1021_acs_inorgchem_2c01912 crossref_primary_10_1039_D2CP04537K crossref_primary_10_1134_S1070363223080091 crossref_primary_10_3390_molecules27103198 crossref_primary_10_1039_D3DT00299C crossref_primary_10_1021_acsomega_4c00769 crossref_primary_10_1103_PhysRevA_108_062815 crossref_primary_10_1021_acs_jpclett_2c00643 crossref_primary_10_1063_5_0248535 crossref_primary_10_1038_s41467_022_32411_z crossref_primary_10_1021_acs_jpca_2c03314 crossref_primary_10_1002_chem_202302449 crossref_primary_10_1016_j_ces_2025_121377 crossref_primary_10_1021_acs_iecr_2c00955 crossref_primary_10_1002_cplu_202300573 crossref_primary_10_3390_magnetochemistry9070172 crossref_primary_10_1021_acs_jpcc_4c05336 crossref_primary_10_1016_j_microc_2023_109221 crossref_primary_10_3390_cryst13050712 crossref_primary_10_1134_S1070363224140068 crossref_primary_10_1016_j_geoen_2023_211663 crossref_primary_10_1021_acs_jpca_4c01464 crossref_primary_10_1002_chem_202004948 crossref_primary_10_1021_acs_jctc_1c01097 crossref_primary_10_1126_sciadv_abm2055 crossref_primary_10_1021_acs_jpca_2c03342 crossref_primary_10_3390_pharmaceutics15051526 crossref_primary_10_1021_acs_jpca_2c02494 crossref_primary_10_1080_00268976_2023_2252110 crossref_primary_10_1039_D2CP01214F crossref_primary_10_3390_molecules29235747 crossref_primary_10_1002_wcms_70005 crossref_primary_10_1002_open_202400046 crossref_primary_10_1002_wcms_70008 crossref_primary_10_1021_acs_jpca_3c02350 crossref_primary_10_1080_00268976_2023_2252109 crossref_primary_10_1021_acs_jpcb_3c06637 crossref_primary_10_1039_D0CP01275K crossref_primary_10_1021_acs_inorgchem_3c04143 crossref_primary_10_1021_acsomega_4c06091 crossref_primary_10_1021_acsomega_1c02533 crossref_primary_10_1002_jcc_27433 crossref_primary_10_1039_D1CP02333K crossref_primary_10_1039_D4SC03786C crossref_primary_10_1080_00268976_2022_2110169 crossref_primary_10_1126_science_adn6059 crossref_primary_10_1039_D0TA01760D crossref_primary_10_1080_00150193_2023_2201783 crossref_primary_10_1021_acsaelm_2c01442 crossref_primary_10_1039_D4CP04386C crossref_primary_10_1039_D4CP00998C crossref_primary_10_1063_5_0225409 crossref_primary_10_1016_j_jqsrt_2022_108102 crossref_primary_10_1063_5_0225865 crossref_primary_10_1021_acs_jpca_4c02853 crossref_primary_10_1029_2023JE008181 crossref_primary_10_1016_j_jms_2024_111951 crossref_primary_10_1098_rsos_200521 crossref_primary_10_3390_electronics12122738 crossref_primary_10_1063_5_0233496 crossref_primary_10_1134_S0022476623070144 crossref_primary_10_1016_j_jms_2024_111949 crossref_primary_10_1021_acs_organomet_2c00236 crossref_primary_10_1021_acs_inorgchem_0c03717 crossref_primary_10_1063_5_0168755 crossref_primary_10_3390_molecules28114383 crossref_primary_10_1021_acs_jpclett_4c01979 crossref_primary_10_1016_j_jallcom_2022_164977 crossref_primary_10_1103_PhysRevA_106_032428 crossref_primary_10_1039_D2CP04978C crossref_primary_10_1021_acs_inorgchem_1c03379 crossref_primary_10_1063_5_0198171 crossref_primary_10_1021_acs_jpca_4c00694 crossref_primary_10_1021_acs_jctc_1c00661 crossref_primary_10_1021_acs_jpca_2c05964 crossref_primary_10_1088_1361_6633_ad9ed9 crossref_primary_10_1039_D5DD00020C crossref_primary_10_1021_acs_est_1c08345 crossref_primary_10_1021_acs_inorgchem_3c04611 crossref_primary_10_1002_slct_202300057 crossref_primary_10_1002_cplu_202300141 crossref_primary_10_3390_pharmaceutics14091972 crossref_primary_10_1021_acs_inorgchem_4c01909 crossref_primary_10_1016_j_dyepig_2021_109878 crossref_primary_10_1021_jacs_3c07774 crossref_primary_10_1016_j_comptc_2020_112801 crossref_primary_10_1021_acsorginorgau_3c00070 crossref_primary_10_1103_PhysRevA_105_062811 crossref_primary_10_1002_cphc_202000098 crossref_primary_10_1039_D2CC05567H crossref_primary_10_1021_acs_bioconjchem_2c00042 crossref_primary_10_3390_molecules27238449 crossref_primary_10_1016_j_molstruc_2020_128504 crossref_primary_10_1016_j_renene_2024_122329 crossref_primary_10_3390_ijms23020939 crossref_primary_10_1016_j_mcat_2024_114298 crossref_primary_10_1149_1945_7111_abf40b crossref_primary_10_3390_molecules27144592 crossref_primary_10_1021_acs_inorgchem_1c00290 crossref_primary_10_1021_acs_jctc_1c00607 crossref_primary_10_1039_D4CP02342K crossref_primary_10_1039_D4AN00674G crossref_primary_10_1007_s00894_022_05411_5 crossref_primary_10_1021_acsomega_3c00831 crossref_primary_10_1002_adfm_202500409 crossref_primary_10_1021_jacs_2c12251 crossref_primary_10_1002_ejic_202000795 crossref_primary_10_1002_ejic_202400185 crossref_primary_10_1016_j_saa_2024_125677 crossref_primary_10_1002_psc_3568 crossref_primary_10_1080_10426507_2021_2023149 crossref_primary_10_1021_acsomega_1c01736 crossref_primary_10_1107_S2052520622002542 crossref_primary_10_1021_acs_cgd_1c01023 crossref_primary_10_1039_D4EM00232F crossref_primary_10_1021_acs_jpclett_3c02081 crossref_primary_10_1021_acs_jctc_4c00289 crossref_primary_10_1063_5_0053962 crossref_primary_10_1002_solr_202400875 crossref_primary_10_1021_acs_jctc_2c01128 crossref_primary_10_1021_acs_organomet_4c00244 crossref_primary_10_3390_molecules29030601 crossref_primary_10_1002_slct_202404146 crossref_primary_10_1002_ange_202201209 crossref_primary_10_1063_5_0231253 crossref_primary_10_1134_S1990793123020203 crossref_primary_10_1021_acs_cgd_4c01026 crossref_primary_10_1103_PhysRevB_101_155106 crossref_primary_10_1039_D0CP01844A crossref_primary_10_1021_acs_cgd_4c00176 crossref_primary_10_1039_D1CP05226H crossref_primary_10_1063_5_0232581 crossref_primary_10_1021_acs_organomet_1c00716 crossref_primary_10_1038_s41524_020_00457_6 crossref_primary_10_1039_D4FD00005F crossref_primary_10_1016_j_ica_2020_120136 crossref_primary_10_1016_j_ica_2025_122564 crossref_primary_10_1063_5_0156315 crossref_primary_10_1039_D4MA00928B crossref_primary_10_1103_PRXQuantum_4_030307 crossref_primary_10_32434_0321_4095_2023_150_5_72_81 crossref_primary_10_1021_acs_inorgchem_4c05057 crossref_primary_10_1021_acs_chemmater_1c00014 crossref_primary_10_1021_acs_jctc_2c01141 crossref_primary_10_1080_22297928_2024_2429765 crossref_primary_10_1134_S0030400X22080045 crossref_primary_10_1021_acs_jpca_3c01956 crossref_primary_10_1016_j_jhazmat_2020_124214 crossref_primary_10_1039_D0SC04752J crossref_primary_10_1021_acs_macromol_1c01408 crossref_primary_10_1021_acs_inorgchem_2c03735 crossref_primary_10_1021_acs_jcim_4c00986 crossref_primary_10_1088_1402_4896_ad1ad6 crossref_primary_10_1063_5_0179003 crossref_primary_10_1002_poc_4414 crossref_primary_10_1021_acsami_0c14613 crossref_primary_10_1039_D4TB02088J crossref_primary_10_1063_5_0057957 crossref_primary_10_1002_mrc_5298 crossref_primary_10_1063_5_0078415 crossref_primary_10_1039_D0CP06388F crossref_primary_10_1016_j_jhazmat_2020_124221 crossref_primary_10_1021_acs_jctc_3c00656 crossref_primary_10_1038_s41524_024_01446_9 crossref_primary_10_1016_j_ica_2020_120110 crossref_primary_10_1038_s41467_024_55521_2 crossref_primary_10_1039_D4DT00286E crossref_primary_10_1016_j_ica_2024_122209 crossref_primary_10_1016_j_comptc_2020_112875 crossref_primary_10_1021_acscatal_4c00470 crossref_primary_10_1021_acs_jctc_0c01106 crossref_primary_10_1038_s41557_022_00909_0 crossref_primary_10_1021_acs_inorgchem_3c01983 crossref_primary_10_1021_acs_organomet_3c00274 crossref_primary_10_1021_acs_inorgchem_4c00662 crossref_primary_10_1039_D0DT00367K crossref_primary_10_1016_j_jmgm_2021_107985 crossref_primary_10_1039_D2CE00891B crossref_primary_10_1007_s10762_020_00725_y crossref_primary_10_1038_s41467_022_30404_6 crossref_primary_10_1063_5_0230367 crossref_primary_10_3390_molecules29246052 crossref_primary_10_3390_molecules29061344 crossref_primary_10_1063_5_0146543 crossref_primary_10_1039_D4QO00950A crossref_primary_10_1063_5_0005037 crossref_primary_10_3390_inorganics12020040 crossref_primary_10_1134_S1070328423600778 crossref_primary_10_1039_D4SC08456J crossref_primary_10_1039_D2DT02219B crossref_primary_10_1002_jcc_27073 crossref_primary_10_1039_D4CP00829D crossref_primary_10_1039_D3CP00617D crossref_primary_10_1002_asia_202300836 crossref_primary_10_1080_00268976_2023_2276909 crossref_primary_10_3389_fspas_2021_654879 crossref_primary_10_1016_j_molstruc_2024_137852 crossref_primary_10_1103_PhysRevB_111_035304 crossref_primary_10_1021_acs_chemmater_4c01744 crossref_primary_10_2139_ssrn_4197384 crossref_primary_10_1021_acs_jctc_1c00203 crossref_primary_10_3390_ijms24109057 crossref_primary_10_1007_s00214_022_02901_w crossref_primary_10_1088_1361_648X_ab6d11 crossref_primary_10_1021_acs_jpclett_1c03309 crossref_primary_10_1016_j_jorganchem_2023_122805 crossref_primary_10_1126_sciadv_adn9692 crossref_primary_10_2139_ssrn_4060369 crossref_primary_10_3390_molecules27113421 crossref_primary_10_1063_5_0150615 crossref_primary_10_1021_acscatal_0c04893 crossref_primary_10_1039_D0PY01712D crossref_primary_10_1039_D1CP05268C crossref_primary_10_1016_j_xcrp_2023_101653 crossref_primary_10_3390_molecules26144195 crossref_primary_10_1021_acs_joc_1c00618 crossref_primary_10_1021_acs_jpcc_2c02209 crossref_primary_10_1016_j_poly_2023_116395 crossref_primary_10_1021_acs_bioconjchem_2c00465 crossref_primary_10_1021_acscatal_2c05758 crossref_primary_10_1002_cphc_202300114 crossref_primary_10_1002_jcc_27097 crossref_primary_10_1016_j_jcat_2021_12_029 crossref_primary_10_3390_chemistry5020063 crossref_primary_10_1021_acs_est_0c03937 crossref_primary_10_1002_ejic_202100937 crossref_primary_10_1007_s11082_021_02947_3 crossref_primary_10_3390_M1845 crossref_primary_10_1002_anie_202417217 crossref_primary_10_1063_5_0050074 crossref_primary_10_1021_acs_jctc_1c00223 crossref_primary_10_1021_acs_jctc_3c00205 crossref_primary_10_7498_aps_73_20230742 crossref_primary_10_1021_acs_jctc_2c00672 crossref_primary_10_1021_acs_jpclett_1c02483 crossref_primary_10_3390_molecules26072083 crossref_primary_10_3390_M1859 crossref_primary_10_1039_D3DT00512G crossref_primary_10_3389_fchem_2021_751711 crossref_primary_10_1021_acs_jpca_1c10431 crossref_primary_10_1021_acs_jctc_2c00686 crossref_primary_10_1002_slct_202401049 crossref_primary_10_1016_j_jqsrt_2022_108118 crossref_primary_10_1038_s41467_021_22715_x crossref_primary_10_3390_pharmaceutics15071924 crossref_primary_10_1021_acsestair_4c00056 crossref_primary_10_1016_j_jcat_2021_12_007 crossref_primary_10_1021_acs_jctc_3c00670 crossref_primary_10_1021_acs_jctc_3c00671 crossref_primary_10_1021_acs_jpca_4c05043 crossref_primary_10_3390_molecules29061392 crossref_primary_10_1039_D2CP01607A crossref_primary_10_1021_acs_chemmater_4c02423 crossref_primary_10_1007_s00894_024_06000_4 crossref_primary_10_3390_molecules28052244 crossref_primary_10_3390_molecules26185708 crossref_primary_10_1021_acs_jpcc_4c00117 crossref_primary_10_1063_5_0159119 crossref_primary_10_1002_jcc_27106 crossref_primary_10_1007_s12613_023_2813_4 crossref_primary_10_1021_acs_jpcb_2c01639 crossref_primary_10_1016_j_diamond_2022_109076 crossref_primary_10_1021_acs_jctc_4c00808 crossref_primary_10_1107_S2056989024003748 crossref_primary_10_1021_acs_inorgchem_2c04410 crossref_primary_10_1039_D4CP03418J crossref_primary_10_1039_D4TA03793F crossref_primary_10_1039_D2CP01738E crossref_primary_10_1080_00958972_2024_2384077 crossref_primary_10_1021_acs_jpca_4c04257 crossref_primary_10_1021_acs_jctc_4c00801 crossref_primary_10_1002_cphc_202100132 crossref_primary_10_3390_molecules27154848 crossref_primary_10_1021_acs_inorgchem_2c04400 crossref_primary_10_1021_acs_jpcb_3c06727 crossref_primary_10_3390_molecules29215187 crossref_primary_10_1021_acs_jctc_0c00693 crossref_primary_10_1021_acsomega_2c04053 crossref_primary_10_1039_D3RA05063G crossref_primary_10_1126_sciadv_adp8150 crossref_primary_10_1016_j_desal_2022_115966 crossref_primary_10_3390_sym13071281 crossref_primary_10_1051_0004_6361_202039251 crossref_primary_10_1021_acs_jpca_0c10766 crossref_primary_10_1021_acs_jpcc_1c00610 crossref_primary_10_1039_D1CP05286A crossref_primary_10_1038_s41586_024_08079_4 crossref_primary_10_1039_D3CP05623F crossref_primary_10_1007_s11426_021_1123_3 crossref_primary_10_1063_5_0046464 crossref_primary_10_1002_adma_202500861 crossref_primary_10_1039_D0CP06164F crossref_primary_10_1088_1361_6528_acedb6 crossref_primary_10_3390_chemistry3030072 crossref_primary_10_3390_chemistry3030073 crossref_primary_10_1021_acsaem_1c03057 crossref_primary_10_1007_s00894_022_05385_4 crossref_primary_10_3390_ijms241210390 crossref_primary_10_1016_j_comptc_2024_114799 crossref_primary_10_1016_j_apsusc_2022_155385 crossref_primary_10_1021_acs_jpcc_0c08758 crossref_primary_10_3390_ijms25063186 crossref_primary_10_1103_PhysRevA_105_022809 crossref_primary_10_1021_acs_jpca_1c06900 crossref_primary_10_1002_zaac_202000460 crossref_primary_10_1021_acs_jpca_4c06857 crossref_primary_10_1080_00268976_2020_1770883 crossref_primary_10_1016_j_talo_2024_100373 crossref_primary_10_1039_D2CP01866G crossref_primary_10_3390_molecules26041092 crossref_primary_10_1021_acs_jpca_2c07638 crossref_primary_10_3390_inorganics10010011 crossref_primary_10_1021_acs_inorgchem_2c03126 crossref_primary_10_1007_s00894_022_05230_8 crossref_primary_10_1063_1_5134538 crossref_primary_10_1021_acs_jpca_3c00418 crossref_primary_10_1021_acs_inorgchem_4c01484 crossref_primary_10_3390_molecules27196289 crossref_primary_10_1063_5_0024675 crossref_primary_10_1016_j_ces_2024_119996 crossref_primary_10_1063_5_0077119 crossref_primary_10_1016_j_scitotenv_2021_151651 crossref_primary_10_1038_s41598_020_80188_2 crossref_primary_10_3390_molecules26102945 crossref_primary_10_1021_acs_jctc_3c00165 crossref_primary_10_1080_00268976_2020_1769872 crossref_primary_10_1021_acsomega_1c05532 crossref_primary_10_1016_j_jhazmat_2022_130366 crossref_primary_10_1016_j_nimb_2024_165496 crossref_primary_10_1063_5_0137378 crossref_primary_10_1021_acs_jcim_4c00896 crossref_primary_10_1002_aoc_7341 crossref_primary_10_1021_acs_jpca_4c07742 crossref_primary_10_1063_5_0107501 crossref_primary_10_1016_j_cjche_2024_01_026 crossref_primary_10_3390_cryst14080704 crossref_primary_10_1016_j_cplett_2022_139754 crossref_primary_10_1063_5_0226437 crossref_primary_10_1002_qua_26865 crossref_primary_10_1063_5_0004635 crossref_primary_10_1016_j_molstruc_2022_134318 crossref_primary_10_1021_acs_inorgchem_3c04236 crossref_primary_10_1021_acs_inorgchem_4c03241 crossref_primary_10_3390_ijms23094655 crossref_primary_10_1021_acs_jpca_4c03794 crossref_primary_10_1063_5_0059356 crossref_primary_10_1016_j_polymertesting_2020_106566 crossref_primary_10_1021_jacs_1c09222 crossref_primary_10_1063_5_0229955 crossref_primary_10_1063_5_0200276 crossref_primary_10_1002_qua_26874 crossref_primary_10_1021_acs_jpca_3c04419 crossref_primary_10_1021_jacs_2c10561 crossref_primary_10_3390_app15052572 crossref_primary_10_1039_D4DD00099D crossref_primary_10_1016_j_atmosenv_2024_120839 crossref_primary_10_1039_D2CP03291K crossref_primary_10_1016_j_snb_2024_136760 crossref_primary_10_1038_s41467_021_25836_5 crossref_primary_10_1063_5_0050531 crossref_primary_10_1038_s42004_024_01245_9 crossref_primary_10_1016_j_mcat_2021_111581 crossref_primary_10_1063_5_0082586 crossref_primary_10_1039_D3DT03404F crossref_primary_10_1134_S1990793122050207 crossref_primary_10_1016_j_saa_2021_119764 crossref_primary_10_1021_acs_jpcc_4c06755 crossref_primary_10_1063_5_0004608 crossref_primary_10_1063_5_0094567 crossref_primary_10_1039_D1NJ02744A crossref_primary_10_1039_D2CP01206E crossref_primary_10_1063_5_0069177 crossref_primary_10_3390_atmos13020188 crossref_primary_10_1016_j_molstruc_2021_129908 crossref_primary_10_1002_slct_202200763 crossref_primary_10_1039_D3CP02512H crossref_primary_10_1021_acs_jpca_2c08940 crossref_primary_10_1098_rsta_2022_0234 crossref_primary_10_7498_aps_70_20201351 crossref_primary_10_1063_5_0040759 crossref_primary_10_1021_acs_jpcc_3c05567 crossref_primary_10_1063_5_0200293 crossref_primary_10_1080_00268976_2022_2147105 crossref_primary_10_1149_1945_7111_aca83b crossref_primary_10_1063_5_0059362 crossref_primary_10_1021_acs_jnatprod_3c00960 crossref_primary_10_3390_inorganics12070176 crossref_primary_10_1088_1741_4326_acffd9 crossref_primary_10_1063_5_0253296 crossref_primary_10_1007_s00214_021_02755_8 crossref_primary_10_1016_j_chemosphere_2021_129617 crossref_primary_10_1016_j_cej_2023_144895 crossref_primary_10_1007_s00214_023_03075_9 crossref_primary_10_1016_j_chemgeo_2022_121101 crossref_primary_10_1002_ejic_202300680 crossref_primary_10_1149_1945_7111_ace383 crossref_primary_10_1016_j_arabjc_2023_105321 crossref_primary_10_1016_j_elspec_2024_147460 crossref_primary_10_1007_s00214_021_02831_z crossref_primary_10_3390_molecules28093665 crossref_primary_10_3390_ma16031154 crossref_primary_10_1021_acs_jpca_4c01574 crossref_primary_10_3390_compounds2010007 crossref_primary_10_1063_5_0120515 crossref_primary_10_1039_D2CP04986D crossref_primary_10_1002_qua_26431 crossref_primary_10_1039_D2CP02317B crossref_primary_10_1063_5_0246471 crossref_primary_10_1016_j_mineng_2024_108874 crossref_primary_10_1021_acs_joc_1c00295 crossref_primary_10_1021_acs_jpca_2c02339 crossref_primary_10_3390_molecules27133969 crossref_primary_10_1016_S1872_2067_23_64583_8 crossref_primary_10_1002_jcc_26209 crossref_primary_10_1021_acsomega_0c01317 crossref_primary_10_1002_chem_202302335 crossref_primary_10_1021_acs_jcim_1c00177 crossref_primary_10_1021_acs_inorgchem_4c03263 crossref_primary_10_1016_j_cej_2022_134753 crossref_primary_10_1016_j_est_2023_108398 crossref_primary_10_3390_ijms23094674 crossref_primary_10_1016_j_molstruc_2024_140788 crossref_primary_10_1021_acs_jpcb_2c05674 crossref_primary_10_1016_j_elspec_2024_147441 crossref_primary_10_1039_D4PY00847B crossref_primary_10_1039_D0CP05229A crossref_primary_10_3390_cryst13010149 crossref_primary_10_1063_5_0080377 crossref_primary_10_1021_acs_inorgchem_0c00808 crossref_primary_10_1038_s41467_024_55065_5 crossref_primary_10_3390_molecules29204916 crossref_primary_10_1016_j_scitotenv_2021_148897 crossref_primary_10_1039_D4RA01861C crossref_primary_10_1021_acs_nanolett_0c05148 crossref_primary_10_1021_acs_organomet_2c00305 crossref_primary_10_1039_D2CP01336C crossref_primary_10_3390_molecules29071624 crossref_primary_10_1103_PhysRevA_111_012809 crossref_primary_10_1039_D0CP00547A crossref_primary_10_1103_PhysRevA_107_032816 crossref_primary_10_1021_acs_jpca_0c06736 crossref_primary_10_1021_jacs_4c09109 crossref_primary_10_1021_jacsau_3c00259 crossref_primary_10_1002_ange_202411635 crossref_primary_10_1021_acs_organomet_2c00352 crossref_primary_10_1021_acs_jpca_2c04967 crossref_primary_10_1063_5_0050127 crossref_primary_10_3390_molecules29174084 crossref_primary_10_1016_j_ijms_2022_116875 crossref_primary_10_1021_acs_joc_1c00767 crossref_primary_10_1016_j_electacta_2020_136665 crossref_primary_10_1021_acs_jctc_1c00999 crossref_primary_10_1002_ejic_202100186 crossref_primary_10_1007_s12678_023_00853_8 crossref_primary_10_1021_acs_jpclett_0c03410 crossref_primary_10_1063_5_0065611 crossref_primary_10_1063_5_0089605 crossref_primary_10_1134_S0036024424040101 crossref_primary_10_3390_ijms23116121 crossref_primary_10_1039_D4CP00835A crossref_primary_10_1140_epja_s10050_023_01015_6 crossref_primary_10_1093_mnras_staa2354 crossref_primary_10_1016_j_microc_2024_111124 crossref_primary_10_1021_acs_jctc_4c01219 crossref_primary_10_1134_S0036024423100187 crossref_primary_10_1016_j_molliq_2021_115457 crossref_primary_10_3390_atoms9010007 crossref_primary_10_1021_acs_jctc_1c00542 crossref_primary_10_1016_j_mcat_2021_112033 crossref_primary_10_1002_cphc_202300248 crossref_primary_10_1063_5_0111511 crossref_primary_10_1016_j_molliq_2023_123650 crossref_primary_10_1002_poc_4359 crossref_primary_10_3389_fchem_2024_1292566 crossref_primary_10_1021_acs_jctc_4c00330 crossref_primary_10_1063_5_0044703 crossref_primary_10_1016_j_poly_2021_115383 crossref_primary_10_1103_PhysRevX_13_031002 crossref_primary_10_1039_D0CP06555B crossref_primary_10_1039_D1OB01673C crossref_primary_10_1016_j_molliq_2021_117600 crossref_primary_10_1002_ejic_202300797 crossref_primary_10_1007_s11172_024_4123_z crossref_primary_10_1021_acs_jced_0c00304 crossref_primary_10_1021_acsami_1c21092 crossref_primary_10_1021_acs_jnatprod_2c00731 crossref_primary_10_1039_D0CP05007E crossref_primary_10_1016_j_dyepig_2021_109985 crossref_primary_10_1002_pssb_202300504 crossref_primary_10_1039_D4CP02262A crossref_primary_10_1021_acs_jctc_3c00917 crossref_primary_10_1039_D2CP03339A crossref_primary_10_1134_S002247662309007X crossref_primary_10_1021_acs_jctc_3c00506 crossref_primary_10_1007_s10967_021_07843_4 crossref_primary_10_1021_acscatal_4c01869 crossref_primary_10_1021_acs_jpca_1c07793 crossref_primary_10_1002_ejic_202000429 crossref_primary_10_1103_PhysRevLett_126_023003 crossref_primary_10_1039_D1CP04344G crossref_primary_10_1002_ange_202317416 crossref_primary_10_1016_S1872_2067_22_64204_9 crossref_primary_10_1007_s10876_025_02779_1 crossref_primary_10_1016_j_ijms_2021_116558 crossref_primary_10_3390_molecules27092885 crossref_primary_10_3390_molecules28135148 crossref_primary_10_1021_acs_jctc_0c00189 crossref_primary_10_1002_jcc_26738 crossref_primary_10_1016_j_matdes_2020_109287 crossref_primary_10_1021_acsomega_4c04620 crossref_primary_10_1016_j_talanta_2023_124775 crossref_primary_10_1016_j_mcat_2024_114103 crossref_primary_10_3390_molecules27031005 crossref_primary_10_1063_5_0189350 crossref_primary_10_3390_ijms24065145 crossref_primary_10_1016_j_jssc_2023_124379 crossref_primary_10_3390_physchem4020010 crossref_primary_10_1002_wcms_1696 crossref_primary_10_1039_D1CP02165F crossref_primary_10_3390_molecules29153575 crossref_primary_10_1002_jcc_26728 crossref_primary_10_1103_PhysRevB_110_115423 crossref_primary_10_3390_nano13061118 crossref_primary_10_1016_j_molstruc_2023_137248 crossref_primary_10_1002_anie_202310571 crossref_primary_10_1002_anie_202411635 crossref_primary_10_1016_j_molliq_2024_126167 crossref_primary_10_31857_S0044460X23080097 crossref_primary_10_1002_poc_4316 crossref_primary_10_1016_j_ica_2024_122138 crossref_primary_10_1021_acs_chemrev_4c00380 crossref_primary_10_3103_S0027131424700299 crossref_primary_10_1039_D0FD00069H crossref_primary_10_1016_j_comptc_2024_114800 crossref_primary_10_1063_5_0073227 crossref_primary_10_1021_acs_jpca_4c00787 crossref_primary_10_1021_acs_jpcb_0c10403 crossref_primary_10_1088_1367_2630_ac2853 crossref_primary_10_1002_cphc_202200768 crossref_primary_10_1021_acs_jpca_2c03610 crossref_primary_10_1016_j_cej_2021_130033 crossref_primary_10_1021_acsomega_3c08696 crossref_primary_10_1039_D3CP03806H crossref_primary_10_1021_acsomega_4c05963 crossref_primary_10_1039_D2CP04067K crossref_primary_10_1080_00268976_2022_2069613 crossref_primary_10_1016_j_jcis_2022_11_030 crossref_primary_10_3390_polym15051325 crossref_primary_10_1039_D0RA03249B crossref_primary_10_1063_5_0134207 crossref_primary_10_3390_molecules27186047 crossref_primary_10_1155_2022_5882921 crossref_primary_10_3390_ijms21082923 crossref_primary_10_1016_j_ijbiomac_2023_126373 crossref_primary_10_1021_acs_inorgchem_1c00132 crossref_primary_10_1080_10426507_2024_2316794 crossref_primary_10_1021_acs_organomet_3c00186 crossref_primary_10_1021_jacs_4c03418 crossref_primary_10_1016_j_talanta_2023_124332 crossref_primary_10_1021_acs_jpca_0c10386 crossref_primary_10_3390_ijms24076659 crossref_primary_10_1002_jcc_27176 crossref_primary_10_1039_D2CP00924B crossref_primary_10_1063_5_0178266 crossref_primary_10_1016_j_physleta_2024_129979 crossref_primary_10_1021_acs_jpclett_4c03636 crossref_primary_10_1080_00268976_2022_2107582 crossref_primary_10_1002_jcc_27170 crossref_primary_10_1016_j_micromeso_2025_113538 crossref_primary_10_3390_molecules27186059 crossref_primary_10_1063_5_0107086 crossref_primary_10_1107_S2052252522005309 crossref_primary_10_1021_acs_jctc_2c01201 crossref_primary_10_1002_open_202300285 crossref_primary_10_1002_adma_202207131 crossref_primary_10_1002_chir_23194 crossref_primary_10_1063_5_0232657 crossref_primary_10_1016_j_carres_2021_108463 crossref_primary_10_1021_acs_jnatprod_3c00175 crossref_primary_10_31857_S0044453724040096 crossref_primary_10_1007_s11224_024_02278_5 crossref_primary_10_1021_acs_jpca_1c10593 crossref_primary_10_1021_acs_jpcc_1c04933 crossref_primary_10_1021_acs_inorgchem_1c00152 crossref_primary_10_1021_acs_jpclett_2c03657 crossref_primary_10_1021_acs_jpca_2c02725 crossref_primary_10_1039_D2CP04591E crossref_primary_10_1021_acs_inorgchem_1c00154 crossref_primary_10_1039_D0RA04799F crossref_primary_10_1016_j_solidstatesciences_2023_107433 crossref_primary_10_1016_j_comptc_2024_114828 crossref_primary_10_1063_5_0098146 crossref_primary_10_1038_s41467_021_25863_2 crossref_primary_10_1039_D3CP01140B crossref_primary_10_1039_D1SC06623D crossref_primary_10_1016_j_molstruc_2024_138828 crossref_primary_10_1134_S1070328424600888 crossref_primary_10_1080_00268976_2023_2271579 crossref_primary_10_1063_5_0208568 crossref_primary_10_1080_00268976_2024_2346632 crossref_primary_10_1021_acs_cgd_2c01351 crossref_primary_10_1063_5_0087498 crossref_primary_10_1063_5_0160961 crossref_primary_10_1116_6_0003899 crossref_primary_10_1021_acs_jctc_4c00747 crossref_primary_10_1103_PhysRevA_109_042815 crossref_primary_10_1021_acs_jnatprod_1c00374 crossref_primary_10_2139_ssrn_4015289 crossref_primary_10_1021_acs_jpca_0c08038 crossref_primary_10_1039_D2NJ00715K crossref_primary_10_1021_acs_inorgchem_4c01890 crossref_primary_10_3389_fmats_2023_1145261 crossref_primary_10_1134_S1070328422700166 crossref_primary_10_3390_ijms22063193 crossref_primary_10_1021_acsomega_0c05344 crossref_primary_10_1039_D2QI00410K crossref_primary_10_1039_D4SC02173H crossref_primary_10_1039_D4QI02023E crossref_primary_10_1063_5_0039387 crossref_primary_10_1039_D1TA02169A crossref_primary_10_1021_acs_jctc_4c00797 crossref_primary_10_1021_acs_jctc_4c00310 crossref_primary_10_1021_acs_jpca_4c05137 crossref_primary_10_3390_molecules26051283 crossref_primary_10_1021_acsomega_1c06003 crossref_primary_10_1016_j_foodchem_2024_141399 crossref_primary_10_1051_0004_6361_202245639 crossref_primary_10_1016_j_rinp_2023_106223 crossref_primary_10_1371_journal_pone_0297502 crossref_primary_10_1021_acs_cgd_0c01314 crossref_primary_10_1021_acs_inorgchem_0c01685 crossref_primary_10_1016_j_jlumin_2025_121177 crossref_primary_10_3390_molecules27051487 crossref_primary_10_1016_j_carbon_2021_04_087 crossref_primary_10_3390_magnetochemistry7020022 crossref_primary_10_1063_5_0076302 crossref_primary_10_1039_D1CE00936B crossref_primary_10_1016_j_microc_2023_108938 crossref_primary_10_1016_j_molliq_2022_120661 crossref_primary_10_1021_acsomega_3c05113 crossref_primary_10_1016_j_jqsrt_2022_108244 crossref_primary_10_1080_00268976_2024_2307497 crossref_primary_10_1021_jacs_0c13061 crossref_primary_10_1063_5_0098575 crossref_primary_10_1063_1674_0068_cjcp2008144 crossref_primary_10_1177_00037028231160565 crossref_primary_10_1021_acs_cgd_4c01303 crossref_primary_10_1063_5_0038072 crossref_primary_10_1103_PhysRevA_104_052402 crossref_primary_10_1002_mrc_5111 crossref_primary_10_1002_chem_202402695 crossref_primary_10_1021_acs_jctc_3c01402 crossref_primary_10_1039_D4CP03424D crossref_primary_10_1021_acs_cgd_4c00445 crossref_primary_10_4028_p_vrhZ9h crossref_primary_10_1039_D3CP05546A crossref_primary_10_1016_j_apsusc_2022_153689 crossref_primary_10_1002_cphc_202100157 crossref_primary_10_1016_j_cplett_2023_140985 crossref_primary_10_1021_acsomega_3c10049 crossref_primary_10_1039_D3CP05082C crossref_primary_10_1002_ejic_202100753 crossref_primary_10_1016_j_colsurfa_2025_136371 crossref_primary_10_1063_5_0094621 crossref_primary_10_1021_acsomega_1c02364 crossref_primary_10_1088_1361_6587_ace3f3 crossref_primary_10_1021_acs_jctc_0c00546 crossref_primary_10_1002_cphc_202400544 crossref_primary_10_1063_5_0091119 crossref_primary_10_3390_inorganics11060248 crossref_primary_10_1016_j_jece_2024_114620 crossref_primary_10_1021_acs_jpcc_0c06885 crossref_primary_10_1021_acs_cgd_2c00322 crossref_primary_10_3389_fchem_2022_858946 crossref_primary_10_1016_j_molstruc_2021_130628 crossref_primary_10_1088_2516_1075_ad48ec crossref_primary_10_1021_jacs_3c07060 crossref_primary_10_1038_s41467_022_35694_4 crossref_primary_10_1103_PhysRevLett_127_233001 crossref_primary_10_1002_ejoc_202400347 crossref_primary_10_1080_00268976_2024_2398142 crossref_primary_10_1021_acs_jpca_2c07584 crossref_primary_10_1039_D2CP01856J crossref_primary_10_1016_j_molliq_2024_125674 crossref_primary_10_1016_j_molliq_2020_114612 crossref_primary_10_1007_s10876_020_01800_z crossref_primary_10_1039_D0NJ05326K crossref_primary_10_1021_acs_jcim_1c01502 crossref_primary_10_1039_D2CP01638A crossref_primary_10_4236_jqis_2022_124010 crossref_primary_10_1016_j_ces_2025_121196 crossref_primary_10_1021_acs_jctc_2c00883 crossref_primary_10_1038_s43588_022_00384_0 crossref_primary_10_1002_anie_202219277 crossref_primary_10_1002_anie_202405584 crossref_primary_10_1039_D0DT02963G crossref_primary_10_1063_5_0079483 crossref_primary_10_1016_j_saa_2024_125055 crossref_primary_10_3390_ijms22189793 crossref_primary_10_1080_00268976_2020_1792568 crossref_primary_10_1134_S1070363224120211 crossref_primary_10_1002_slct_202203087 crossref_primary_10_1021_acs_jpcb_4c07361 crossref_primary_10_1021_acs_inorgchem_1c00563 crossref_primary_10_1063_5_0037636 crossref_primary_10_1016_j_poly_2024_116986 crossref_primary_10_1021_acs_inorgchem_4c03518 crossref_primary_10_1021_acs_inorgchem_3c01724 crossref_primary_10_1021_acs_jctc_2c00817 crossref_primary_10_1002_cphc_202000206 crossref_primary_10_1021_acs_joc_2c01745 crossref_primary_10_1103_PhysRevA_107_023101 crossref_primary_10_1007_s00894_021_04937_4 crossref_primary_10_1016_j_cplett_2020_137763 crossref_primary_10_1021_acs_jctc_0c00986 crossref_primary_10_1002_admt_202202028 crossref_primary_10_1002_ange_202310571 crossref_primary_10_1021_acscatal_3c01660 crossref_primary_10_1002_asia_202200438 crossref_primary_10_1021_acs_jpclett_3c01309 crossref_primary_10_1021_acs_analchem_3c04231 crossref_primary_10_1063_5_0023459 crossref_primary_10_1007_s11164_023_04971_2 crossref_primary_10_1021_acs_jctc_0c00977 crossref_primary_10_1016_j_jqsrt_2021_107593 crossref_primary_10_1063_5_0038904 crossref_primary_10_1039_D3CP00014A crossref_primary_10_1063_5_0216776 crossref_primary_10_1039_D3NJ01298K crossref_primary_10_1021_acs_organomet_3c00474 crossref_primary_10_1002_zaac_202000364 crossref_primary_10_3390_molecules28176353 crossref_primary_10_5796_denkikagaku_20_TE0003 crossref_primary_10_1016_j_jhazmat_2023_132943 crossref_primary_10_1021_acs_inorgchem_4c03547 crossref_primary_10_1021_acs_jpcc_1c09128 crossref_primary_10_1016_j_molstruc_2023_136944 crossref_primary_10_1063_5_0060822 crossref_primary_10_1002_chem_202303154 crossref_primary_10_1021_acscatal_2c05579 crossref_primary_10_1002_ejic_202200525 crossref_primary_10_3390_molecules28093933 crossref_primary_10_1002_chem_202304009 crossref_primary_10_1021_acs_inorgchem_4c00051 crossref_primary_10_1007_s11082_023_05368_6 crossref_primary_10_1021_acs_jpca_4c04357 crossref_primary_10_1021_acs_jctc_1c01272 crossref_primary_10_1021_acs_jpca_3c05635 crossref_primary_10_1007_s10967_021_07653_8 crossref_primary_10_1021_acs_jpca_2c05782 crossref_primary_10_1039_C9CP06648A crossref_primary_10_1088_1367_2630_ac3619 crossref_primary_10_1016_j_phytochem_2023_113741 crossref_primary_10_1038_s41467_025_57316_5 crossref_primary_10_1002_ange_202417217 crossref_primary_10_1021_acs_jpca_4c02583 crossref_primary_10_1016_j_molstruc_2024_138111 crossref_primary_10_1039_D3MA00904A crossref_primary_10_1002_chem_202401816 crossref_primary_10_1002_qua_26990 crossref_primary_10_1002_cphc_202200271 crossref_primary_10_1021_acsomega_0c04981 crossref_primary_10_1103_PhysRevA_110_012803 crossref_primary_10_1002_adma_202203351 crossref_primary_10_1016_j_mtcomm_2024_108106 crossref_primary_10_1039_D0CP04018E crossref_primary_10_1016_j_molstruc_2024_138126 crossref_primary_10_1016_j_cplett_2020_137337 crossref_primary_10_1002_jcc_26769 crossref_primary_10_1002_qua_26526 crossref_primary_10_1021_jacs_3c00860 crossref_primary_10_1021_acs_inorgchem_3c02153 crossref_primary_10_1021_acs_inorgchem_3c03488 crossref_primary_10_1016_j_rechem_2022_100455 crossref_primary_10_1016_j_ica_2023_121761 crossref_primary_10_1021_acs_jpca_0c05224 crossref_primary_10_1039_D3DT03960A crossref_primary_10_1098_rsos_240814 crossref_primary_10_1021_acsaem_3c01925 crossref_primary_10_1088_1361_648X_ac7930 crossref_primary_10_1063_5_0190983 crossref_primary_10_1016_j_comptc_2021_113363 crossref_primary_10_1021_acs_jpca_4c05641 crossref_primary_10_1021_acsomega_3c00645 crossref_primary_10_1016_j_mtcomm_2024_108126 crossref_primary_10_1021_acs_jpcc_3c04123 crossref_primary_10_1021_acs_organomet_0c00127 crossref_primary_10_1016_j_ijms_2023_117154 crossref_primary_10_1021_acs_jpca_3c01299 crossref_primary_10_1134_S0036023622600794 crossref_primary_10_1021_acs_jctc_3c00903 crossref_primary_10_1002_cphc_202000289 crossref_primary_10_1021_acs_jpclett_3c01713 crossref_primary_10_2139_ssrn_4184628 crossref_primary_10_1002_aoc_7836 crossref_primary_10_1016_j_ica_2024_122079 crossref_primary_10_3390_coatings13122094 crossref_primary_10_1002_ejoc_202400321 crossref_primary_10_1002_cjoc_202100072 crossref_primary_10_1016_j_seppur_2023_124386 crossref_primary_10_1021_jacs_3c07032 crossref_primary_10_1021_acs_jpca_3c05600 crossref_primary_10_1039_D4NJ03111C crossref_primary_10_1142_S2737416521500095 crossref_primary_10_1039_D3SC03597B crossref_primary_10_1039_D2CP06077A crossref_primary_10_1016_j_jhazmat_2025_137904 crossref_primary_10_1063_5_0046118 crossref_primary_10_1002_wcms_1610 crossref_primary_10_1016_j_poly_2021_115451 crossref_primary_10_1063_5_0130436 crossref_primary_10_1016_j_comptc_2022_113645 crossref_primary_10_31857_S0235010623060099 crossref_primary_10_1039_D4DT00577E crossref_primary_10_1039_D4QI01338G crossref_primary_10_1021_acs_jpcb_2c04698 crossref_primary_10_1016_j_cplett_2021_138523 crossref_primary_10_1002_slct_202500072 crossref_primary_10_3390_molecules27175411 crossref_primary_10_1063_5_0133978 crossref_primary_10_1039_D0CP06547A crossref_primary_10_1016_j_cej_2020_126681 crossref_primary_10_1016_j_jphotochem_2022_114389 crossref_primary_10_1063_5_0145933 crossref_primary_10_1016_j_mcat_2022_112541 crossref_primary_10_1021_jacs_4c00529 crossref_primary_10_1107_S2053273321009086 crossref_primary_10_1063_5_0055094 crossref_primary_10_1002_elps_202300232 crossref_primary_10_1016_j_poly_2022_115899 crossref_primary_10_1039_C9CP05798F crossref_primary_10_1016_j_molstruc_2024_140891 crossref_primary_10_1038_s41597_023_02501_8 crossref_primary_10_1007_s11164_020_04198_5 crossref_primary_10_1063_5_0059445 crossref_primary_10_3390_compounds2040023 crossref_primary_10_1021_acs_jctc_2c00055 crossref_primary_10_3390_molecules28186541 crossref_primary_10_1002_aic_18439 crossref_primary_10_1021_acs_organomet_2c00475 crossref_primary_10_1021_acs_jpcb_3c00771 crossref_primary_10_31857_S0132344X24020049 crossref_primary_10_1063_5_0076871 crossref_primary_10_3390_ijms241310554 crossref_primary_10_1063_5_0032836 crossref_primary_10_1021_acs_jpcb_4c06967 crossref_primary_10_1039_D1DT00599E crossref_primary_10_21468_SciPostChem_3_1_001 crossref_primary_10_1515_cmb_2024_0002 crossref_primary_10_1038_s41598_023_44585_7 crossref_primary_10_1063_5_0191308 crossref_primary_10_1039_D2NJ04689J crossref_primary_10_1021_acs_jpcb_4c00397 crossref_primary_10_1016_j_commatsci_2024_112813 crossref_primary_10_1002_jcc_26830 crossref_primary_10_1063_1_5144964 crossref_primary_10_1016_j_molstruc_2020_127886 crossref_primary_10_1039_D2SC06409J crossref_primary_10_1016_j_dyepig_2021_109632 crossref_primary_10_1002_jcc_26839 crossref_primary_10_1021_acs_inorgchem_3c00027 crossref_primary_10_1021_acs_inorgchem_1c03152 crossref_primary_10_1021_acs_jpca_4c00466 crossref_primary_10_3390_md21100511 crossref_primary_10_1002_chem_202300887 crossref_primary_10_3390_ijms23105379 crossref_primary_10_1016_j_jinorgbio_2023_112355 crossref_primary_10_1016_j_jnoncrysol_2023_122461 crossref_primary_10_1039_D1TC00223F crossref_primary_10_1103_PhysRevB_110_184302 crossref_primary_10_1021_acs_jpca_3c06588 crossref_primary_10_1021_acscatal_3c05999 crossref_primary_10_1080_00268976_2022_2065375 crossref_primary_10_1021_acs_organomet_4c00464 crossref_primary_10_1021_acs_jpcb_4c06917 crossref_primary_10_1016_j_molstruc_2023_136019 crossref_primary_10_1021_acs_jpca_2c01783 crossref_primary_10_1103_PhysRevA_109_L010801 crossref_primary_10_1016_j_jmr_2023_107497 crossref_primary_10_1039_D1EA00023C crossref_primary_10_1039_D3CP04680J crossref_primary_10_1039_D4CP04670F crossref_primary_10_1134_S1995421224701405 crossref_primary_10_1016_j_cej_2023_146670 crossref_primary_10_1021_acssuschemeng_1c07966 crossref_primary_10_1515_zpch_2023_0385 crossref_primary_10_1016_j_molstruc_2022_134801 crossref_primary_10_1021_acs_macromol_4c01217 crossref_primary_10_3390_ijms24087070 crossref_primary_10_1039_D1NA00737H crossref_primary_10_1021_acs_jctc_1c00837 crossref_primary_10_1016_j_jallcom_2023_169005 crossref_primary_10_38001_ijlsb_1110761 crossref_primary_10_1021_acs_organomet_2c00040 crossref_primary_10_1038_s41612_022_00316_9 crossref_primary_10_1007_s13205_023_03608_w crossref_primary_10_1002_qua_26968 crossref_primary_10_1002_cphc_202200638 crossref_primary_10_1021_acs_jctc_1c00866 crossref_primary_10_1016_j_poly_2021_115071 crossref_primary_10_1039_D1SM01731D crossref_primary_10_1021_acs_iecr_3c04216 crossref_primary_10_1021_acs_inorgchem_3c00057 crossref_primary_10_1002_jcc_26874 crossref_primary_10_1016_j_molstruc_2020_129622 crossref_primary_10_1021_acs_jpcc_3c04213 crossref_primary_10_1021_acs_jpca_3c03041 crossref_primary_10_1063_5_0072013 crossref_primary_10_1016_j_jinorgbio_2022_112088 crossref_primary_10_3390_molecules26051305 crossref_primary_10_1063_5_0244318 crossref_primary_10_1002_jcc_26879 crossref_primary_10_1021_acs_energyfuels_3c03013 crossref_primary_10_1021_acs_jpca_4c01757 crossref_primary_10_1039_D2NR02415B crossref_primary_10_3390_sym13122241 crossref_primary_10_1021_acs_jpca_4c03935 crossref_primary_10_1002_ejic_202300632 crossref_primary_10_1039_D1DT00021G crossref_primary_10_1016_j_carbpol_2023_121421 crossref_primary_10_1063_5_0207398 crossref_primary_10_1063_5_0157878 crossref_primary_10_1021_acsomega_1c00632 crossref_primary_10_1002_chem_202302629 crossref_primary_10_1021_acs_jpca_2c00455 crossref_primary_10_1002_ejic_202300629 crossref_primary_10_1016_j_inoche_2024_112446 crossref_primary_10_1021_acs_jpca_3c04363 crossref_primary_10_1016_j_desal_2025_118588 crossref_primary_10_1021_acs_jpca_2c03968 crossref_primary_10_1002_chem_202304378 crossref_primary_10_1016_j_comptc_2025_115071 crossref_primary_10_1021_acs_iecr_4c01576 crossref_primary_10_1088_1674_1056_ac7456 crossref_primary_10_1021_acs_jctc_3c00421 crossref_primary_10_1007_s00211_022_01305_z crossref_primary_10_1021_acs_inorgchem_3c01761 crossref_primary_10_1063_1_5140985 crossref_primary_10_1016_j_isci_2022_105215 crossref_primary_10_1021_acs_jctc_4c00877 crossref_primary_10_1002_mrc_5052 crossref_primary_10_1021_acs_jctc_1c00491 crossref_primary_10_1080_07366299_2022_2037222 crossref_primary_10_1002_mrc_5058 crossref_primary_10_1039_D1DT03009D crossref_primary_10_1002_jcc_27296 crossref_primary_10_1021_acs_jpcc_2c08191 crossref_primary_10_1002_jcc_27293 crossref_primary_10_1021_acs_jpca_1c02628 crossref_primary_10_3390_ma16041611 crossref_primary_10_1021_acs_inorgchem_0c02696 crossref_primary_10_1002_aenm_202101446 crossref_primary_10_1021_acs_inorgchem_1c02689 crossref_primary_10_1142_S1088424624500354 crossref_primary_10_1016_j_apradiso_2021_109951 crossref_primary_10_1021_acs_cgd_2c01258 crossref_primary_10_1021_acsomega_4c03208 crossref_primary_10_1016_j_comptc_2023_114433 crossref_primary_10_1088_1402_4896_ad4a9c crossref_primary_10_1139_cjc_2023_0147 crossref_primary_10_1134_S0036023624600801 crossref_primary_10_1021_acs_jctc_0c00053 crossref_primary_10_1002_slct_202303726 crossref_primary_10_1016_j_jms_2023_111805 crossref_primary_10_1063_5_0069726 crossref_primary_10_3390_inorganics12010007 crossref_primary_10_1016_j_molstruc_2025_142008 crossref_primary_10_1002_chem_202102751 crossref_primary_10_1039_D1CP03023J crossref_primary_10_1039_D2CP01189A crossref_primary_10_1021_acs_jpca_3c07042 crossref_primary_10_1016_j_molstruc_2023_136475 crossref_primary_10_1016_j_polymer_2021_123825 crossref_primary_10_1039_D1RA01793D crossref_primary_10_1063_5_0220306 crossref_primary_10_1002_aic_17960 crossref_primary_10_1016_j_comptc_2023_114402 crossref_primary_10_1039_D3DT04279K crossref_primary_10_1016_j_comptc_2023_114403 crossref_primary_10_3390_ijms232314668 crossref_primary_10_1002_mrc_5037 crossref_primary_10_1016_j_jece_2024_112980 crossref_primary_10_1039_D0CP06499H crossref_primary_10_1039_D4CP04504A crossref_primary_10_1007_s00894_020_04533_y crossref_primary_10_1016_j_poly_2024_117320 crossref_primary_10_1134_S0036024424701449 crossref_primary_10_1139_cjc_2023_0151 crossref_primary_10_1016_j_cplett_2023_140575 crossref_primary_10_1063_5_0090771 crossref_primary_10_1038_s42004_024_01380_3 crossref_primary_10_1016_j_dyepig_2021_109221 crossref_primary_10_1021_acs_jpca_1c03935 crossref_primary_10_1021_acs_organomet_1c00074 crossref_primary_10_1021_acs_jctc_9b01120 crossref_primary_10_1021_acsami_2c13506 crossref_primary_10_1021_acs_organomet_1c00078 crossref_primary_10_1002_slct_202203127 crossref_primary_10_1039_D4CP04855E crossref_primary_10_1016_j_colsurfa_2024_133739 crossref_primary_10_1016_j_jfluchem_2023_110191 crossref_primary_10_1039_D3NJ01563G crossref_primary_10_1134_S002016852311002X crossref_primary_10_1021_acsnano_3c08717 crossref_primary_10_1063_1674_0068_cjcp2112270 crossref_primary_10_1002_cphc_202000720 crossref_primary_10_3390_chemistry6010004 crossref_primary_10_1021_acs_inorgchem_2c02209 crossref_primary_10_1002_poc_4613 crossref_primary_10_1016_j_mineng_2024_109047 crossref_primary_10_1007_s10847_020_01011_z crossref_primary_10_1039_D1SC04630F crossref_primary_10_1016_j_jcat_2025_116009 crossref_primary_10_3389_fchem_2020_584203 crossref_primary_10_1002_ange_202008630 crossref_primary_10_1002_ijch_202300033 crossref_primary_10_1039_D2CY00510G crossref_primary_10_1063_5_0194848 crossref_primary_10_1063_5_0054661 crossref_primary_10_1021_acs_jctc_3c00456 crossref_primary_10_1021_acs_jpca_4c07443 crossref_primary_10_1021_acscatal_1c05959 crossref_primary_10_3390_molecules27238230 crossref_primary_10_1021_acsomega_4c05422 crossref_primary_10_1039_D1DT03755B crossref_primary_10_1002_cphc_202000746 crossref_primary_10_1021_acscatal_1c05979 crossref_primary_10_1021_acs_inorgchem_3c03961 crossref_primary_10_1016_j_comptc_2023_114442 crossref_primary_10_1016_j_cplett_2020_137707 crossref_primary_10_1021_acs_jctc_4c00893 crossref_primary_10_1021_acs_jctc_4c01746 crossref_primary_10_1016_j_chroma_2019_460788 crossref_primary_10_1039_C9CP06471K crossref_primary_10_1016_j_bioorg_2022_105847 crossref_primary_10_1002_ejic_202001028 crossref_primary_10_1016_j_snb_2022_133031 crossref_primary_10_1039_D3TC02206D crossref_primary_10_1021_acs_jctc_1c01304 crossref_primary_10_1021_acs_jctc_2c00440 crossref_primary_10_1021_acs_jctc_1c01309 crossref_primary_10_1063_5_0009677 crossref_primary_10_1021_acs_jpca_4c06133 crossref_primary_10_1039_D4CP01343C crossref_primary_10_1055_a_1706_4642 crossref_primary_10_3390_cryst14040325 crossref_primary_10_3390_sym14020354 crossref_primary_10_1021_acs_jctc_0c01323 crossref_primary_10_1039_D3CP00370A crossref_primary_10_1039_D2DT03833A crossref_primary_10_1063_5_0243859 |
| Cites_doi | 10.1016/j.cpc.2010.04.018 10.1002/(SICI)1096-987X(199610)17:13<1571::AID-JCC9>3.0.CO;2-P 10.1021/acs.jctc.7b00174 10.1016/0009-2614(95)00807-G 10.1007/s10586-005-4092-4 10.1109/MCISE.2003.1196306 10.1063/1.5052551 10.1021/ci600510j |
| ContentType | Journal Article |
| Copyright | Copyright American Chemical Society Nov 25, 2019 |
| Copyright_xml | – notice: Copyright American Chemical Society Nov 25, 2019 |
| DBID | AAYXX CITATION NPM 7SC 7SR 7U5 8BQ 8FD JG9 JQ2 L7M L~C L~D 7X8 |
| DOI | 10.1021/acs.jcim.9b00725 |
| DatabaseName | CrossRef PubMed Computer and Information Systems Abstracts Engineered Materials Abstracts Solid State and Superconductivity Abstracts METADEX Technology Research Database Materials Research Database ProQuest Computer Science Collection Advanced Technologies Database with Aerospace Computer and Information Systems Abstracts Academic Computer and Information Systems Abstracts Professional MEDLINE - Academic |
| DatabaseTitle | CrossRef PubMed Materials Research Database Engineered Materials Abstracts Technology Research Database Computer and Information Systems Abstracts – Academic ProQuest Computer Science Collection Computer and Information Systems Abstracts Solid State and Superconductivity Abstracts Advanced Technologies Database with Aerospace METADEX Computer and Information Systems Abstracts Professional MEDLINE - Academic |
| DatabaseTitleList | PubMed Materials Research Database MEDLINE - Academic |
| Database_xml | – sequence: 1 dbid: NPM name: PubMed url: https://proxy.k.utb.cz/login?url=http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?db=PubMed sourceTypes: Index Database |
| DeliveryMethod | fulltext_linktorsrc |
| Discipline | Chemistry |
| EISSN | 1549-960X |
| EndPage | 4820 |
| ExternalDocumentID | 31600445 10_1021_acs_jcim_9b00725 d273764762 |
| Genre | Research Support, U.S. Gov't, Non-P.H.S Journal Article |
| GroupedDBID | - 55A 5GY 7~N AABXI ABFLS ABMVS ABUCX ACGFS ACIWK ACNCT ACS AEESW AENEX AFEFF ALMA_UNASSIGNED_HOLDINGS AQSVZ D0L DU5 EBS ED ED~ F5P GNL IH9 JG JG~ P2P PQEST PQQKQ RNS ROL UI2 VF5 VG9 W1F X --- -~X 4.4 5VS AAYXX ABBLG ABJNI ABLBI ABQRX ADHLV AHGAQ CITATION CUPRZ GGK NPM 7SC 7SR 7U5 8BQ 8FD JG9 JQ2 L7M L~C L~D 7X8 |
| ID | FETCH-LOGICAL-a457t-e339f3cfc7a7176d98a41beffa90c4d6443f497b17139d14620c8555df66970c3 |
| IEDL.DBID | ACS |
| ISSN | 1549-9596 1549-960X |
| IngestDate | Fri Jul 11 10:20:56 EDT 2025 Mon Jun 30 11:06:46 EDT 2025 Thu Jan 02 22:58:14 EST 2025 Thu Apr 24 23:11:57 EDT 2025 Tue Jul 01 03:04:36 EDT 2025 Thu Aug 27 13:43:27 EDT 2020 |
| IsPeerReviewed | true |
| IsScholarly | true |
| Issue | 11 |
| Language | English |
| License | https://doi.org/10.15223/policy-029 https://doi.org/10.15223/policy-037 https://doi.org/10.15223/policy-045 |
| LinkModel | DirectLink |
| MergedId | FETCHMERGED-LOGICAL-a457t-e339f3cfc7a7176d98a41beffa90c4d6443f497b17139d14620c8555df66970c3 |
| Notes | ObjectType-Article-1 SourceType-Scholarly Journals-1 ObjectType-Feature-2 content type line 14 content type line 23 |
| ORCID | 0000-0003-2136-0606 0000-0002-7795-4422 0000-0001-6065-3167 |
| PMID | 31600445 |
| PQID | 2318648152 |
| PQPubID | 28739 |
| PageCount | 7 |
| ParticipantIDs | proquest_miscellaneous_2305035795 proquest_journals_2318648152 pubmed_primary_31600445 crossref_primary_10_1021_acs_jcim_9b00725 crossref_citationtrail_10_1021_acs_jcim_9b00725 acs_journals_10_1021_acs_jcim_9b00725 |
| ProviderPackageCode | JG~ 55A AABXI GNL VF5 7~N VG9 W1F ACS AEESW AFEFF ABMVS ABUCX IH9 AQSVZ ED~ UI2 CITATION AAYXX |
| PublicationCentury | 2000 |
| PublicationDate | 2019-11-25 |
| PublicationDateYYYYMMDD | 2019-11-25 |
| PublicationDate_xml | – month: 11 year: 2019 text: 2019-11-25 day: 25 |
| PublicationDecade | 2010 |
| PublicationPlace | United States |
| PublicationPlace_xml | – name: United States – name: Washington |
| PublicationTitle | Journal of chemical information and modeling |
| PublicationTitleAlternate | J. Chem. Inf. Model |
| PublicationYear | 2019 |
| Publisher | American Chemical Society |
| Publisher_xml | – name: American Chemical Society |
| References | ref9/cit9 ref17/cit17 ref6/cit6 ref10/cit10 ref3/cit3 ref11/cit11 ref12/cit12 ref15/cit15 ref16/cit16 Bray T. (ref8/cit8) 2017; 8259 ref13/cit13 ref14/cit14 ref5/cit5 ref2/cit2 ref4/cit4 ref1/cit1 ref7/cit7 |
| References_xml | – ident: ref15/cit15 doi: 10.1016/j.cpc.2010.04.018 – ident: ref1/cit1 doi: 10.1002/(SICI)1096-987X(199610)17:13<1571::AID-JCC9>3.0.CO;2-P – ident: ref12/cit12 – ident: ref14/cit14 – ident: ref17/cit17 doi: 10.1021/acs.jctc.7b00174 – ident: ref9/cit9 doi: 10.1016/0009-2614(95)00807-G – ident: ref6/cit6 doi: 10.1007/s10586-005-4092-4 – ident: ref4/cit4 – volume: 8259 year: 2017 ident: ref8/cit8 publication-title: RFC – ident: ref5/cit5 – ident: ref13/cit13 – ident: ref3/cit3 doi: 10.1109/MCISE.2003.1196306 – ident: ref10/cit10 – ident: ref16/cit16 – ident: ref11/cit11 – ident: ref7/cit7 doi: 10.1063/1.5052551 – ident: ref2/cit2 doi: 10.1021/ci600510j |
| SSID | ssj0033962 |
| Score | 2.7210643 |
| Snippet | The Basis Set Exchange (BSE) has been a prominent fixture in the quantum chemistry community. First publicly available in 2007, it is recognized by both users... |
| SourceID | proquest pubmed crossref acs |
| SourceType | Aggregation Database Index Database Enrichment Source Publisher |
| StartPage | 4814 |
| SubjectTerms | Computational chemistry Exchanging Organic chemistry Quantum chemistry Websites Workflow |
| Title | New Basis Set Exchange: An Open, Up-to-Date Resource for the Molecular Sciences Community |
| URI | http://dx.doi.org/10.1021/acs.jcim.9b00725 https://www.ncbi.nlm.nih.gov/pubmed/31600445 https://www.proquest.com/docview/2318648152 https://www.proquest.com/docview/2305035795 |
| Volume | 59 |
| hasFullText | 1 |
| inHoldings | 1 |
| isFullTextHit | |
| isPrint | |
| link | http://utb.summon.serialssolutions.com/2.0.0/link/0/eLvHCXMwjV3JTsMwELWgHODCvhdkJDgg4TZ2YifmVgpVhQQXqASnKHFsqSwpIqkEfD3jLEWs4prYTjyezDxnPG8Q2g8000wkjGgac-K5jkMCJTmhJgB3plliYpvvfHEp-gPv_IbffNDkfI3gM9qOVNa6U8PHlmXv8xmfRjNMBMJqcKd7VVtd15VF8VDLOEYkl3VI8qcRrCNS2WdH9Au6LLxMb6EsV5QV5IT2cMl9a5zHLfX2nbrxHxNYRPMV2MSdUjuW0JROl9Fst67xtoJuwcbhkygbZvhK5_jspcwDPsadFNujJkd48ETyETkFRIrrP_0YcC4G3Igv6tK6uLIQGa7yTfLXVTTonV13-6QqtkAij_s50SBB4yqj_Ah2eCKRQeTRWBsTSUd5CcAm13jSjynsamUC9pU5KuCcJ0YI6TvKXUONdJTqDYRFkc7LolgZ4_nCj8G4S9iYUcdNNFjgTXQAMgmrjyULizg4o2FxEQQVVoLaRO16hUJVMZbbwhkPf_Q4nPR4Ktk6_mjbrBf941UA7QbC8tfAS-5NbsOi2DBKlOrR2LaxHDrclzDEeqksk4e5VNgQOd_65xS30RwgMGmTGxlvokb-PNY7gHLyeLdQ73dVtvSW |
| linkProvider | American Chemical Society |
| linkToHtml | http://utb.summon.serialssolutions.com/2.0.0/link/0/eLvHCXMwlV3db9MwED913cP2Amx8jZVhJHhAwm3sxE7MW-ladbDugbVSeYoSx5YGLK2WVNr213NOk04gmODVsZ3z-XL3c853B_AmMtxwmXFqWCpo4HsejbQSlNkIzZnhmU1dvPPkTI5nwae5mLeANbEwSESBMxWVE_8uuwDrubZv-uKy65L4hVxswTZiEeYEuT84b5Sv76uqhqhLPEaVUI1n8k8zOHuki1_t0V9AZmVsRg_hy4bM6o7J9-6qTLv69rcMjv-1jkfwoIaepL-WlT1omXwfdgZNxbfH8BU1HvmYFBcFOTclGV6vo4I_kH5O3MWT92S2pOWCHiM-Jc1_f4KolyCKJJOm0C6p9UVB6uiT8uYJzEbD6WBM69ILNAlEWFKDjLS-tjpM8LwnMxUlAUuNtYnydJAhiPJtoMKU4RlXZahtuacjIURmpVShp_2n0M4XuXkORFbBvTxJtbVBKMMUVb3CYxrz_MygPj6At8iTuP50irjyinMWV43IqLhm1AH0mo2KdZ2_3JXR-HHPiHebEct17o57-naavb8jBbFvJF02GyTy9eYxbopzqiS5WaxcH5dRR4QKp3i2lpnNy3wmncNcvPjHJb6CnfF0chqfnpx9PoRdxGbKhT1y0YF2ebUyLxH_lOlRJfE_ATn8_Pc |
| linkToPdf | http://utb.summon.serialssolutions.com/2.0.0/link/0/eLvHCXMwlV1LT9wwEB7xkEovvAqUt5HaA1K9JE7sxNyWhRWPgpBgq-UUJY4t0UJ2RbIS8OsZZ5OtQIDgmtjOeDye-ZzxzAD8CDXTTKSMajfh1Pcch4ZKcuqaEM2ZZqlJbLzz6Zk47PjHXd4dA17HwiAROY6Ul058u6v7qakyDLg79vlfdX3bsIn8AsbHYdLiESvMzdZFrYA9T5Z1RG3yMSq5rL2Tr41gbZLKn9ukN4BmaXDaM_BnRGp5z-RfY1AkDfX4Iovjp-cyC9MVBCXNoczMwZjO5mGqVVd--wZXqPnIXpxf5-RCF-TgfhgdvEuaGbEXUH6RTp8WPbqPOJXU__8Jol-CaJKc1gV3SaU3clJFoRQPC9BpH1y2DmlVgoHGPg8KqpGZxlNGBTGe-0Qqw9h3E21MLB3lpwimPOPLIHHxrCtT1LrMUSHnPDVCyMBR3iJMZL1MfwciyiBfFifKGD8QQYIqX-JxzXW8VKNeXoafyJOo2kJ5VHrHmRuVD5FRUcWoZdipFytSVR5zW07j5p0e26Me_WEOj3fartXr_58UxMChsFltkMit0WtcFOtciTPdG9g2NrMODyQOsTSUm9HHPFdYxzlf-eAUN-HL-X47-n10drIKXxGiSRv9yPgaTBR3A72OMKhINkqhfwKIA_96 |
| openUrl | ctx_ver=Z39.88-2004&ctx_enc=info%3Aofi%2Fenc%3AUTF-8&rfr_id=info%3Asid%2Fsummon.serialssolutions.com&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=New+Basis+Set+Exchange%3A+An+Open%2C+Up-to-Date+Resource+for+the+Molecular+Sciences+Community&rft.jtitle=Journal+of+chemical+information+and+modeling&rft.au=Pritchard%2C+Benjamin+P.&rft.au=Altarawy%2C+Doaa&rft.au=Didier%2C+Brett&rft.au=Gibson%2C+Tara+D.&rft.date=2019-11-25&rft.issn=1549-9596&rft.eissn=1549-960X&rft.volume=59&rft.issue=11&rft.spage=4814&rft.epage=4820&rft_id=info:doi/10.1021%2Facs.jcim.9b00725&rft.externalDBID=n%2Fa&rft.externalDocID=10_1021_acs_jcim_9b00725 |
| thumbnail_l | http://covers-cdn.summon.serialssolutions.com/index.aspx?isbn=/lc.gif&issn=1549-9596&client=summon |
| thumbnail_m | http://covers-cdn.summon.serialssolutions.com/index.aspx?isbn=/mc.gif&issn=1549-9596&client=summon |
| thumbnail_s | http://covers-cdn.summon.serialssolutions.com/index.aspx?isbn=/sc.gif&issn=1549-9596&client=summon |