Accurate Conformational Energy Differences of Carbohydrates: A Complete Basis Set Extrapolation
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F11%3A00358957" target="_blank" >RIV/61388963:_____/11:00358957 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1021/ct200007x" target="_blank" >http://dx.doi.org/10.1021/ct200007x</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/ct200007x" target="_blank" >10.1021/ct200007x</a>
Alternative languages
Result language
angličtina
Original language name
Accurate Conformational Energy Differences of Carbohydrates: A Complete Basis Set Extrapolation
Original language description
Correlated ab initio wave function calculations have been performed, using nonrelativistic frozen core MP2 complete basis set extrapolation model chemistry. The calculations have been made for three test sets of gas-phase saccharide conformations to provide reference values for their relative energies.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Result continuities
Project
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Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)
Others
Publication year
2011
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Chemical Theory and Computation
ISSN
1549-9618
e-ISSN
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Volume of the periodical
7
Issue of the periodical within the volume
4
Country of publishing house
US - UNITED STATES
Number of pages
10
Pages from-to
988-997
UT code for WoS article
000289315700022
EID of the result in the Scopus database
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