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Optimal Representation of the Nuclear Ensemble: Application to Electronic Spectroscopy
Sršeň, Štěpán, Slavíček, Petr
Published in Journal of chemical theory and computation (12.10.2021)
Published in Journal of chemical theory and computation (12.10.2021)
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Journal Article
Modeling Photoionization of Aqueous DNA and Its Components
Pluhařová, Eva, Slavíček, Petr, Jungwirth, Pavel
Published in Accounts of chemical research (19.05.2015)
Published in Accounts of chemical research (19.05.2015)
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Journal Article
Deciphering the Structure–Property Relations in Substituted Heptamethine Cyanines
Štacková, Lenka, Muchová, Eva, Russo, Marina, Slavíček, Petr, Štacko, Peter, Klán, Petr
Published in Journal of organic chemistry (07.08.2020)
Published in Journal of organic chemistry (07.08.2020)
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Journal Article
Thermal Truncation of Heptamethine Cyanine Dyes
Okoročenkova, Jana, Filgas, Josef, Khan, Nasrulla Majid, Slavíček, Petr, Klán, Petr
Published in Journal of the American Chemical Society (24.07.2024)
Published in Journal of the American Chemical Society (24.07.2024)
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Journal Article
Limits of the Nuclear Ensemble Method for Electronic Spectra Simulations: Temperature Dependence of the (E)‑Azobenzene Spectrum
Sršeň, Štěpán, Sita, Jaroslav, Slavíček, Petr, Ladányi, Vít, Heger, Dominik
Published in Journal of chemical theory and computation (13.10.2020)
Published in Journal of chemical theory and computation (13.10.2020)
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Journal Article
Selecting Initial Conditions for Trajectory-Based Nonadiabatic Simulations
Janoš, Jiří, Slavíček, Petr, Curchod, Basile F. E.
Published in Accounts of chemical research (21.01.2025)
Published in Accounts of chemical research (21.01.2025)
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Journal Article
Redox Potentials with COSMO-RS: Systematic Benchmarking with Different Databases
Tomaník, Lukáš, Rulíšek, Lubomír, Slavíček, Petr
Published in Journal of chemical theory and computation (14.02.2023)
Published in Journal of chemical theory and computation (14.02.2023)
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Journal Article
Ultrafast Charge and Proton Transfer in Doubly Ionized Ammonia Dimers
Zhou, Jiaqi, Belina, Michal, Jia, Shaokui, Xue, Xiaorui, Hao, Xintai, Ren, Xueguang, Slavíček, Petr
Published in The journal of physical chemistry letters (17.11.2022)
Published in The journal of physical chemistry letters (17.11.2022)
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Journal Article
From Gas to Solution: The Changing Neutral Structure of Proline upon Solvation
Credidio, Bruno, Thürmer, Stephan, Stemer, Dominik, Pugini, Michele, Trinter, Florian, Vokrouhlický, Jakub, Slavíček, Petr, Winter, Bernd
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (28.11.2024)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (28.11.2024)
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Journal Article
Spin–Vibronic Control of Intersystem Crossing in Iodine-Substituted Heptamethine Cyanines
Tovtik, Radek, Muchová, Eva, Štacková, Lenka, Slavíček, Petr, Klán, Petr
Published in Journal of organic chemistry (02.06.2023)
Published in Journal of organic chemistry (02.06.2023)
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Journal Article
Solvation energies of ions with ensemble cluster-continuum approach
Tomaník, Lukáš, Muchová, Eva, Slaví ek, Petr
Published in Physical chemistry chemical physics : PCCP (15.10.2020)
Published in Physical chemistry chemical physics : PCCP (15.10.2020)
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Journal Article
Predicting the photodynamics of cyclobutanone triggered by a laser pulse at 200 nm and its MeV-UED signals—A trajectory surface hopping and XMS-CASPT2 perspective
Janoš, Jiří, Figueira Nunes, Joao Pedro, Hollas, Daniel, Slavíček, Petr, Curchod, Basile F. E.
Published in The Journal of chemical physics (14.04.2024)
Published in The Journal of chemical physics (14.04.2024)
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Journal Article
Porphyrin as a versatile visible-light-activatable organic/metal hybrid photoremovable protecting group
Sekhar, Adiki Raja, Chitose, Youhei, Janoš, Jiří, Dangoor, Sahar Israeli, Ramundo, Andrea, Satchi-Fainaro, Ronit, Slavíček, Petr, Klán, Petr, Weinstain, Roy
Published in Nature communications (24.06.2022)
Published in Nature communications (24.06.2022)
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Journal Article