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Titolo: | Theoretical and computational chemistry aspects / / edited by Ponnadurai Ramasami |
Pubblicazione: | Berlin ; ; Boston : , : Walter de Gruyter GmbH, , [2021] |
©2021 | |
Descrizione fisica: | 1 online resource (212 pages) |
Disciplina: | 541 |
Soggetto topico: | Chemistry, Physical and theoretical |
Computational chemistry | |
Persona (resp. second.): | RamasamiPonnadurai |
Nota di contenuto: | Intro -- Preface of the Book of Proceedings of the Virtual Conference on Chemistry and its Applications (VCCA-2020) -- Contents -- List of contributing authors -- 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-C< -- sub> -- carbene< -- /sub> -- 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 -- Index. |
Titolo autorizzato: | Theoretical and computational chemistry aspects |
ISBN: | 1-5231-4780-6 |
3-11-073976-3 | |
Formato: | Materiale a stampa |
Livello bibliografico | Monografia |
Lingua di pubblicazione: | Inglese |
Record Nr.: | 9910554270603321 |
Lo trovi qui: | Univ. Federico II |
Opac: | Controlla la disponibilità qui |