skip to main content

DOE PAGESDOE PAGES

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

Authors:
; ORCiD logo ; ; ORCiD logo
Publication Date:
Grant/Contract Number:
SC0008666
Type:
Publisher's Accepted Manuscript
Journal Name:
Computer Physics Communications
Additional Journal Information:
Journal Volume: 210; Journal Issue: C; Related Information: CHORUS Timestamp: 2017-10-04 09:27:16; Journal ID: ISSN 0010-4655
Publisher:
Elsevier
Sponsoring Org:
USDOE
Country of Publication:
Netherlands
Language:
English
OSTI Identifier:
1396480