volume 54 issue 3 pages 820-826

PRIRODA-04: A quantum-chemical program suite. New possibilities in the study of molecular systems with the application of parallel computing

Publication typeJournal Article
Publication date2005-03-01
scimago Q3
SJR0.305
CiteScore2.8
Impact factor
ISSN10665285, 15739171
General Chemistry
Abstract
Main characteristics are described of the PRIRODA quantum-chemical program suite designed for the study of complex molecular systems by the density functional theory, at the MP2, MP3, and MP4 levels of multiparticle perturbation theory, and by the coupled-cluster single and double excitations method (CCSD) with the application of parallel computing. A number of examples of calculations are presented.
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GOST |
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GOST Copy
Laikov D. et al. PRIRODA-04: A quantum-chemical program suite. New possibilities in the study of molecular systems with the application of parallel computing // Russian Chemical Bulletin. 2005. Vol. 54. No. 3. pp. 820-826.
GOST all authors (up to 50) Copy
Laikov D., Ustynyuk Yu. A. PRIRODA-04: A quantum-chemical program suite. New possibilities in the study of molecular systems with the application of parallel computing // Russian Chemical Bulletin. 2005. Vol. 54. No. 3. pp. 820-826.
RIS |
Cite this
RIS Copy
TY - JOUR
DO - 10.1007/s11172-005-0329-x
UR - http://link.springer.com/10.1007/s11172-005-0329-x
TI - PRIRODA-04: A quantum-chemical program suite. New possibilities in the study of molecular systems with the application of parallel computing
T2 - Russian Chemical Bulletin
AU - Laikov, D.N.
AU - Ustynyuk, Yu A
PY - 2005
DA - 2005/03/01
PB - Springer Nature
SP - 820-826
IS - 3
VL - 54
SN - 1066-5285
SN - 1573-9171
ER -
BibTex |
Cite this
BibTex (up to 50 authors) Copy
@article{2005_Laikov,
author = {D.N. Laikov and Yu A Ustynyuk},
title = {PRIRODA-04: A quantum-chemical program suite. New possibilities in the study of molecular systems with the application of parallel computing},
journal = {Russian Chemical Bulletin},
year = {2005},
volume = {54},
publisher = {Springer Nature},
month = {mar},
url = {http://link.springer.com/10.1007/s11172-005-0329-x},
number = {3},
pages = {820--826},
doi = {10.1007/s11172-005-0329-x}
}
MLA
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MLA Copy
Laikov, D.N., et al. “PRIRODA-04: A quantum-chemical program suite. New possibilities in the study of molecular systems with the application of parallel computing.” Russian Chemical Bulletin, vol. 54, no. 3, Mar. 2005, pp. 820-826. http://link.springer.com/10.1007/s11172-005-0329-x.
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