Anharmonic Treatment of the Lowest-energy Conformers of Glycine: A Theoretical Study.

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F00%3A54000132" target="_blank" >RIV/61388955:_____/00:54000132 - isvavai.cz</a>

Result on the web

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DOI - Digital Object Identifier

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Result language

angličtina

Original language name

Anharmonic Treatment of the Lowest-energy Conformers of Glycine: A Theoretical Study.

Original language description

Structure and energetics of the four lowest energy conformers of glycine are determined at the MP2/aug-cc-pVDZ level of theory.The optimized structural parameters for these conformers agree with previous theoretical results obtained by highly-correlatedab initio methods and with available experimental data.The 24-dimensional anharmonic treatment is carried out by means of the second order perturbation theory.

Czech name

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Czech description

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Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

CF - Physical chemistry and theoretical chemistry

OECD FORD branch

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Project

Result was created during the realization of more than one project. More information in the Projects tab.

Continuities

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year

2000

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Journal of Chemical Physics

ISSN

0021-9606

e-ISSN

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Volume of the periodical

113

Issue of the periodical within the volume

11

Country of publishing house

US - UNITED STATES

Number of pages

7

Pages from-to

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UT code for WoS article

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EID of the result in the Scopus database

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