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...
| Corporate Author: | |
|---|---|
| Other Authors: | |
| Format: | Conference Proceeding eBook |
| Language: | English |
| Published: |
Berlin ; Boston
De Gruyter,
[2021]
|
| Series: | Chemical sciences in the focus ;
v. 3. |
| Subjects: | |
| Online Access: | https://www.lib.tsu.ru/mminfo/2023/EBSCO/3050103.pdf Перейти в каталог НБ ТГУ |
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| 020 | |a 3110739763 |q (electronic bk.) | ||
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| 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 | ||
| 490 | 1 | |a Chemical sciences in the focus ; |v volume 3 | |
| 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 |
| 653 | 0 | |a Chemistry, Physical and theoretical. |9 382528 | |
| 653 | 0 | |a Computational chemistry. |9 904073 | |
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| 700 | 1 | |a Ramasami, Ponnadurai, |9 413115 | |
| 711 | 2 | |a Virtual Conference on Chemistry and its Applications "Research and Innovations in Chemical Sciences: Paving the Way Forward" |d (2020 : |c Online) |9 904360 | |
| 830 | 0 | |a Chemical sciences in the focus ; |v v. 3. |9 904361 | |
| 856 | 4 | 0 | |u https://www.lib.tsu.ru/mminfo/2023/EBSCO/3050103.pdf |
| 856 | |y Перейти в каталог НБ ТГУ |u https://koha.lib.tsu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=1010548 | ||
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