Combining Rule for Interaction Energies of the (CO)2, (N2)2 and CO-N2 Complexes.

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F03%3A54030301" target="_blank" >RIV/61388955:_____/03:54030301 - isvavai.cz</a>

Alternative codes found

RIV/00216208:11310/03:7075

Result on the web

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DOI - Digital Object Identifier

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Result language

angličtina

Original language name

Combining Rule for Interaction Energies of the (CO)2, (N2)2 and CO-N2 Complexes.

Original language description

Combining rule for interaction energies of the (CO)2, (N2)2 and CO-N2 complexes The relation between interaction energies of the most stable structures of the (CO)2, (N2)2 and CO-N2 complexes is investigated using the supermolecule CCSD(T) and MP4 methods and aug-cc-pVXZ (X=D,T,Q) basis sets extended by a set of midbond functions centered in the middle of the intermolecular bond. A simple combining rule for interaction energies of this triad of clusters is proposed.

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

<a href="/en/project/GA203%2F00%2F0600" target="_blank" >GA203/00/0600: Description of thermodynamics properties of fluids at superambient conditions by the methods of applied statistical mechanics</a><br>

Continuities

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year

2003

Confidentiality

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

Name of the periodical

Molecular Physics

ISSN

0026-8976

e-ISSN

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Volume of the periodical

101

Issue of the periodical within the volume

23/24

Country of publishing house

GB - UNITED KINGDOM

Number of pages

10

Pages from-to

3409-3418

UT code for WoS article

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EID of the result in the Scopus database

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