International Journal of Quantum Chemistry, volume 119, issue 12, pages e25937

Multithreaded parallelization of the energy and analytic gradient in the fragment molecular orbital method

3
 
Research Center for Computational Design of Advanced Functional Materials (CD‐FMat)National Institute of Advanced Industrial Science and Technology Tsukuba Japan
Publication typeJournal Article
Publication date2019-04-26
Quartile SCImago
Q2
Quartile WOS
Q2
Impact factor2.2
ISSN00207608, 1097461X
Physical and Theoretical Chemistry
Atomic and Molecular Physics, and Optics
Condensed Matter Physics

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Mironov V., Alexeev Y., Fedorov D. V. Multithreaded parallelization of the energy and analytic gradient in the fragment molecular orbital method // International Journal of Quantum Chemistry. 2019. Vol. 119. No. 12. p. e25937.
GOST all authors (up to 50) Copy
Mironov V., Alexeev Y., Fedorov D. V. Multithreaded parallelization of the energy and analytic gradient in the fragment molecular orbital method // International Journal of Quantum Chemistry. 2019. Vol. 119. No. 12. p. e25937.
RIS |
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RIS Copy
TY - JOUR
DO - 10.1002/qua.25937
UR - https://doi.org/10.1002%2Fqua.25937
TI - Multithreaded parallelization of the energy and analytic gradient in the fragment molecular orbital method
T2 - International Journal of Quantum Chemistry
AU - Mironov, Vladimir
AU - Alexeev, Yuri
AU - Fedorov, D. V.
PY - 2019
DA - 2019/04/26 00:00:00
PB - Wiley
SP - e25937
IS - 12
VL - 119
SN - 0020-7608
SN - 1097-461X
ER -
BibTex |
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BibTex Copy
@article{2019_Mironov,
author = {Vladimir Mironov and Yuri Alexeev and D. V. Fedorov},
title = {Multithreaded parallelization of the energy and analytic gradient in the fragment molecular orbital method},
journal = {International Journal of Quantum Chemistry},
year = {2019},
volume = {119},
publisher = {Wiley},
month = {apr},
url = {https://doi.org/10.1002%2Fqua.25937},
number = {12},
pages = {e25937},
doi = {10.1002/qua.25937}
}
MLA
Cite this
MLA Copy
Mironov, Vladimir, et al. “Multithreaded parallelization of the energy and analytic gradient in the fragment molecular orbital method.” International Journal of Quantum Chemistry, vol. 119, no. 12, Apr. 2019, p. e25937. https://doi.org/10.1002%2Fqua.25937.
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