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Theoretical and computational chemistry aspects Chemical sciences in the focus ;, v. 3./ edited by Ponnadurai Ramasami.
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| dc.contributor.author | Ramasami Ponnadurai | |
| dc.date.accessioned | 2024-01-29T23:35:44Z | |
| dc.date.available | 2024-01-29T23:35:44Z | |
| dc.date.issued | 2021 | |
| dc.identifier.citation | Theoretical and computational chemistry aspects Chemical sciences in the focus ;, v. 3. - 1 online resource - URL: https://libweb.kpfu.ru/ebsco/pdf/3050103.pdf | |
| dc.identifier.isbn | 9783110739763 | |
| dc.identifier.isbn | 3110739763 | |
| dc.identifier.isbn | 9783110739800 | |
| dc.identifier.isbn | 3110739801 | |
| dc.identifier.uri | https://dspace.kpfu.ru/xmlui/handle/net/182481 | |
| dc.description.abstract | 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. | |
| dc.description.tableofcontents | 1 Role of heteroatoms and substituents on the structure, reactivity, aromaticity, and absorption spectra of pyrene: a density functional theory study -- 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 -- 3 Educational components in the supervision of chemistry postgraduate students: experiences and reflections -- 4 Chemometric exploratory data analysis for patients with diabetes type 2 and diabetic complications -- 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 -- 6 Theoretical investigation of the stability, reactivity, and the interaction of methylsubstituted peridinium-based ionic liquids -- 7 Chemical computational approaches for optimization of effective surfactants in enhanced oil recovery -- 8 Determination of bulk and surface properties of liquid Bi-Sn alloys using an improved quasi-lattice theory -- 9 Identification of potential histone deacetylase inhibitory biflavonoids from Garcinia kola (Guttiferae) using in silico protein-ligand interaction -- 10 Thermodynamics of the micellization of quaternary based cationic surfactants in triethanolamine-water media: a conductometry study | |
| dc.language | English | |
| dc.language.iso | en | |
| dc.relation.ispartofseries | Chemical sciences in the focus. volume 3 | |
| dc.relation.ispartofseries | Chemical sciences in the focus ;. v. 3. | |
| dc.subject.other | Chemistry, Physical and theoretical. | |
| dc.subject.other | Computational chemistry. | |
| dc.subject.other | Electronic books. | |
| dc.title | Theoretical and computational chemistry aspects Chemical sciences in the focus ;, v. 3./ edited by Ponnadurai Ramasami. | |
| dc.type | Book | |
| dc.contributor.org | Virtual Conference on Chemistry and its Applications "Research and Innovations in Chemical Sciences: Paving the Way Forward" | |
| dc.description.pages | 1 online resource | |
| dc.collection | Электронно-библиотечные системы | |
| dc.source.id | EN05CEBSCO05C4675 |
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