RI-MP2 Calculations with Extended Basis Sets - a Promising Tool for Study of H-bonded and Stacked DNA Base Pairs.

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F01%3A54010220" target="_blank" >RIV/61388955:_____/01:54010220 - 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

RI-MP2 Calculations with Extended Basis Sets - a Promising Tool for Study of H-bonded and Stacked DNA Base Pairs.

Original language description

The interaction energies of 9-methyladenine...1-methylthymine H-bonded and 9-methyladenine...9-methylguanine stacked pairs were evaluated at the MP2 and resolution of the identity MP2 (RI-MP2) levels. The interaction energies are almost identical for both methods. The RI-MP2 method is about one order of magnitude faster than the exact MP2 method and, therefore, this method is well suited for the study of large models of biological importance.

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

CH - Nuclear and quantum chemistry, photo chemistry

OECD FORD branch

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Project

<a href="/en/project/LN00A032" target="_blank" >LN00A032: Structure and dynamics of complex molecular systems and biomolecules</a><br>

Continuities

Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year

2001

Confidentiality

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

Name of the periodical

Physical Chemistry Chemical Physics

ISSN

1463-9076

e-ISSN

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Volume of the periodical

3

Issue of the periodical within the volume

20

Country of publishing house

GB - UNITED KINGDOM

Number of pages

5

Pages from-to

4578-4582

UT code for WoS article

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EID of the result in the Scopus database

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