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Title: Computational thermochemistry: Automated generation of scale factors for vibrational frequencies calculated by electronic structure model chemistries

Abstract

Not provided.

Authors:
; ORCiD logo; ; ORCiD logo
Publication Date:
Research Org.:
Univ. of Minnesota, Minneapolis, MN (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1533696
DOE Contract Number:  
SC0008666
Resource Type:
Journal Article
Journal Name:
Computer Physics Communications
Additional Journal Information:
Journal Volume: 210; Journal Issue: C; Journal ID: ISSN 0010-4655
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
Computer Science; Physics

Citation Formats

Yu, Haoyu S., Fiedler, Lucas J., Alecu, I. M., and Truhlar, Donald G. Computational thermochemistry: Automated generation of scale factors for vibrational frequencies calculated by electronic structure model chemistries. United States: N. p., 2017. Web. doi:10.1016/j.cpc.2016.09.004.
Yu, Haoyu S., Fiedler, Lucas J., Alecu, I. M., & Truhlar, Donald G. Computational thermochemistry: Automated generation of scale factors for vibrational frequencies calculated by electronic structure model chemistries. United States. https://doi.org/10.1016/j.cpc.2016.09.004
Yu, Haoyu S., Fiedler, Lucas J., Alecu, I. M., and Truhlar, Donald G. 2017. "Computational thermochemistry: Automated generation of scale factors for vibrational frequencies calculated by electronic structure model chemistries". United States. https://doi.org/10.1016/j.cpc.2016.09.004.
@article{osti_1533696,
title = {Computational thermochemistry: Automated generation of scale factors for vibrational frequencies calculated by electronic structure model chemistries},
author = {Yu, Haoyu S. and Fiedler, Lucas J. and Alecu, I. M. and Truhlar, Donald G.},
abstractNote = {Not provided.},
doi = {10.1016/j.cpc.2016.09.004},
url = {https://www.osti.gov/biblio/1533696}, journal = {Computer Physics Communications},
issn = {0010-4655},
number = C,
volume = 210,
place = {United States},
year = {2017},
month = {1}
}