Quantum-chemical study of aminoacetic acid cyclic dimers

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dc.contributor.author Kutzhanova, K.Zh.
dc.contributor.author Kurmanova, A.F.
dc.contributor.author Pustolaikina, I.A.
dc.contributor.author Su, Xintai
dc.date.accessioned 2017-04-11T09:52:18Z
dc.date.available 2017-04-11T09:52:18Z
dc.date.issued 2016-12-30
dc.identifier.issn 2518-7201
dc.identifier.uri http://rep.ksu.kz/handle/data/1169
dc.description.abstract Cyclic dimers of aminoacetic acid were investigated by ab initio UHF 3–21G method using the Gaussian-2009 program. Four types of aminoacetic acid cyclic dimers were registered by quantum-chemical method. Comparative analysis of geometry, charge and energy parameters of aminoacetic acid dimers and individual molecule was performed. Complexation energy of studied dimers was estimated. ru_RU
dc.language.iso en ru_RU
dc.publisher Вестник Карагандинского университета ru_RU
dc.relation.ispartofseries Химия;
dc.subject quantum chemical calculations ru_RU
dc.subject ab initio UHF 3–21G ru_RU
dc.subject hydrogen bond ru_RU
dc.subject aminoacetic acid ru_RU
dc.subject glycine ru_RU
dc.subject dimers ru_RU
dc.subject associates ru_RU
dc.subject cyclic complexes by hydrogen bonding ru_RU
dc.subject geometric and energy parameters ru_RU
dc.subject charge distribution ru_RU
dc.subject complexation energy ru_RU
dc.subject hydrogen bond energy ru_RU
dc.title Quantum-chemical study of aminoacetic acid cyclic dimers ru_RU
dc.type Article ru_RU

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