Theoretical and computational chemistry aspects

Based on "The Virtual Conference on Chemistry and its Applications (VCCA-2020) - Research and Innovations in Chemical Sciences: Paving the Way Forward" held in August 2020 and organized by the Computational Chemistry Group of the University of Mauritius. The chapters reflect a wide range o...

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Bibliographic Details
Other Authors: Ramasami, Ponnadurai, (Editor)
Format: eBook
Language: English
Published: Berlin ; Boston : De Gruyter, [2021]
Series: Chemical sciences in the focus ; v. 3.
Subjects:
Chemistry, Physical and theoretical.
Computational chemistry.
elektronické knihy
electronic books
ISBN: 9783110739763
3110739763
9783110739800
3110739801
9783110739749
Physical Description: 1 online resource

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Table of contents

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035 |a (OCoLC)1273973664  |z (OCoLC)1276855538 
245 0 0 |a Theoretical and computational chemistry aspects /  |c edited by Ponnadurai Ramasami. 
264 1 |a Berlin ;  |a Boston :  |b De Gruyter,  |c [2021] 
300 |a 1 online resource 
336 |a text  |b txt  |2 rdacontent 
337 |a computer  |b c  |2 rdamedia 
338 |a online resource  |b cr  |2 rdacarrier 
490 1 |a Chemical sciences in the focus ;  |v volume 3 
506 |a Plný text je dostupný pouze z IP adres počítačů Univerzity Tomáše Bati ve Zlíně nebo vzdáleným přístupem pro zaměstnance a studenty 
520 |a Based on "The Virtual Conference on Chemistry and its Applications (VCCA-2020) - Research and Innovations in Chemical Sciences: Paving the Way Forward" held in August 2020 and organized by the Computational Chemistry Group of the University of Mauritius. The chapters reflect a wide range of fundamental and applied research in the chemical sciences and interdisciplinary subjects. 
505 0 0 |t 1 Role of heteroatoms and substituents on the structure, reactivity, aromaticity, and absorption spectra of pyrene: a density functional theory study --  |t 2 Effect of delocalization of nonbonding electron density on the stability of the M-Ccarbene bond in main group metalimidazol- 2-ylidene complexes: a computational and structural database study --  |t 3 Educational components in the supervision of chemistry postgraduate students: experiences and reflections --  |t 4 Chemometric exploratory data analysis for patients with diabetes type 2 and diabetic complications --  |t 5 Electronic structure theory study of the reactivity and structural molecular properties of halo-substituted (F, Cl, Br) and heteroatom (N, O, S) doped cyclobutane --  |t 6 Theoretical investigation of the stability, reactivity, and the interaction of methylsubstituted peridinium-based ionic liquids --  |t 7 Chemical computational approaches for optimization of effective surfactants in enhanced oil recovery --  |t 8 Determination of bulk and surface properties of liquid Bi-Sn alloys using an improved quasi-lattice theory --  |t 9 Identification of potential histone deacetylase inhibitory biflavonoids from Garcinia kola (Guttiferae) using in silico protein-ligand interaction --  |t 10 Thermodynamics of the micellization of quaternary based cationic surfactants in triethanolamine-water media: a conductometry study 
590 |a Knovel  |b Knovel (All titles) 
650 0 |a Chemistry, Physical and theoretical. 
650 0 |a Computational chemistry. 
655 7 |a elektronické knihy  |7 fd186907  |2 czenas 
655 9 |a electronic books  |2 eczenas 
700 1 |a Ramasami, Ponnadurai,  |e editor. 
830 0 |a Chemical sciences in the focus ;  |v v. 3. 
856 4 0 |u https://proxy.k.utb.cz/login?url=https://app.knovel.com/hotlink/toc/id:kpCSFVTCC1/chemical-sciences-in?kpromoter=marc  |y Full text 

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