Software update: the ORCA program system, version 4.0
Publication type: Journal Article
Publication date: 2017-07-17
scimago Q1
wos Q1
SJR: 4.501
CiteScore: 38.1
Impact factor: 27.0
ISSN: 17590876, 17590884
Materials Chemistry
Biochemistry
Physical and Theoretical Chemistry
Computer Science Applications
Computational Mathematics
Abstract
This short update provides an overview of the capabilities that have been added to the ORCA electronic structure package (version 4.0) since publication of the first article in 2012. WIREs Comput Mol Sci 2018, 8:e1327. doi: 10.1002/wcms.1327
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Neese F. Software update: the ORCA program system, version 4.0 // Wiley Interdisciplinary Reviews: Computational Molecular Science. 2017. Vol. 8. No. 1.
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Neese F. Software update: the ORCA program system, version 4.0 // Wiley Interdisciplinary Reviews: Computational Molecular Science. 2017. Vol. 8. No. 1.
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TY - JOUR
DO - 10.1002/wcms.1327
UR - https://doi.org/10.1002/wcms.1327
TI - Software update: the ORCA program system, version 4.0
T2 - Wiley Interdisciplinary Reviews: Computational Molecular Science
AU - Neese, Frank
PY - 2017
DA - 2017/07/17
PB - Wiley
IS - 1
VL - 8
SN - 1759-0876
SN - 1759-0884
ER -
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@article{2017_Neese,
author = {Frank Neese},
title = {Software update: the ORCA program system, version 4.0},
journal = {Wiley Interdisciplinary Reviews: Computational Molecular Science},
year = {2017},
volume = {8},
publisher = {Wiley},
month = {jul},
url = {https://doi.org/10.1002/wcms.1327},
number = {1},
doi = {10.1002/wcms.1327}
}