Highly Accurate CCSD(T) and DFT-SAPT Stabilization Energies of H-Bonded and Stacked Structures of the Uracil Dimer

Result code in IS VaVaI

RIV/61388963:_____/08:00315796 - isvavai.cz

Result on the web

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DOI - Digital Object Identifier

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Result language

angličtina

Original language name

Highly Accurate CCSD(T) and DFT-SAPT Stabilization Energies of H-Bonded and Stacked Structures of the Uracil Dimer

Original language description

The CCSD(T) interaction energies for the H-bonded and stacked structures of the uracil dimer are determined at the aug-cc-pVDZ and aug-cc-pVTZ levels. On the basis of these calculations we can construct the CCSD(T) interaction energies at the complete basis set (CBS) limit.

Czech name

Přesné CCSD(T) a DFT-SAPT stabilizační energe dimeru uracilu pro patrové struktury a struktury s vodíkovou vazbou

Czech description

CCSD(T) interační energie dimeru uracilu pro patrové struktury a struktury s vodíkovou vazbou byly určeny pomocí aug-cc-pVDZ and aug-cc-pVTZ bazí. CCSD(T) interační energie byla určena na úrovní kompletního bázového limitu.

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

LC512: Center for biomolecules and complex molecular systems

Continuities

Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year

2008

Confidentiality

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

Name of the periodical

ChemPhysChem

ISSN

1439-4235

e-ISSN

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Volume of the periodical

9

Issue of the periodical within the volume

12

Country of publishing house

DE - GERMANY

Number of pages

9

Pages from-to

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UT code for WoS article

000258368700022

EID of the result in the Scopus database

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