Simulations of vibrational spectra from classical trajectories: Calibration with ab initio force fields
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22330%2F07%3A00019123" target="_blank" >RIV/60461373:22330/07:00019123 - isvavai.cz</a>
Alternative codes found
RIV/61388963:_____/07:00087183
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
Simulations of vibrational spectra from classical trajectories: Calibration with ab initio force fields
Original language description
An algorithm allowing simulating vibrational spectra from classical time-dependent trajectories was applied for infrared absorption, vibrational circular dichroism, Raman, and Raman optical activity of model harmonic systems.
Czech name
Simulace vibračních specter z klasických trajektorií. Kalibrace s ab initio silovými poli
Czech description
Absorpční, VCD , Ramanova a ROA spectra byla simulována z klasických trajektorií pomocí nového algoritmu vyvinutého pro harmonický potenciál.
Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CB - Analytical chemistry, separation
OECD FORD branch
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Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)
Others
Publication year
2007
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 Physics
ISSN
0021-9606
e-ISSN
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Volume of the periodical
127
Issue of the periodical within the volume
8
Country of publishing house
US - UNITED STATES
Number of pages
9
Pages from-to
1-9
UT code for WoS article
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EID of the result in the Scopus database
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