Quantum-chemical study of aminoacetic acid cyclic dimers

Kutzhanova, K.Zh.; Kurmanova, A.F.; Pustolaikina, I.A.; Su, Xintai

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