Solvent effects and ab initio simulations of molecular spectra
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F05%3A00023478" target="_blank" >RIV/61388963:_____/05:00023478 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
Solvent effects and ab initio simulations of molecular spectra
Original language description
We have developed a hybrid molecular mechanics/quantum mechanics scheme for simulation of electronic and vibrational spectra.
Czech name
Rozpouštědlové efekty v simulaci molekulových spekter
Czech description
Byly vyvíjeny hybridní klasické a kvantové modely pro simulace elektronových a vibračních spekter.
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
2005
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Chimia
ISSN
0009-4293
e-ISSN
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Volume of the periodical
59
Issue of the periodical within the volume
7/8
Country of publishing house
CH - SWITZERLAND
Number of pages
1
Pages from-to
454
UT code for WoS article
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EID of the result in the Scopus database
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