Efficiently Calculating Anharmonic Frequencies of Molecular Vibration by Molecular Dynamics Trajectory Analysis

Efficiently Calculating Anharmonic Frequencies of Molecular Vibration by Molecular Dynamics Trajectory Analysis

Bibliographic Details
Main Author: Shaoqing Wang
Format: Article
Language:English
Published: American Chemical Society 2019-05-01
Series:ACS Omega
Online Access:http://dx.doi.org/10.1021/acsomega.8b03364
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spelling doaj-b6278d40af7c41b3b8aa87c76b64d41f2020-11-25T03:18:56ZengAmerican Chemical SocietyACS Omega2470-13432019-05-01459271928310.1021/acsomega.8b03364Efficiently Calculating Anharmonic Frequencies of Molecular Vibration by Molecular Dynamics Trajectory AnalysisShaoqing Wanghttp://dx.doi.org/10.1021/acsomega.8b03364
collection DOAJ
language English
format Article
sources DOAJ
author Shaoqing Wang
spellingShingle Shaoqing Wang
Efficiently Calculating Anharmonic Frequencies of Molecular Vibration by Molecular Dynamics Trajectory Analysis
ACS Omega
author_facet Shaoqing Wang
author_sort Shaoqing Wang
title Efficiently Calculating Anharmonic Frequencies of Molecular Vibration by Molecular Dynamics Trajectory Analysis
title_short Efficiently Calculating Anharmonic Frequencies of Molecular Vibration by Molecular Dynamics Trajectory Analysis
title_full Efficiently Calculating Anharmonic Frequencies of Molecular Vibration by Molecular Dynamics Trajectory Analysis
title_fullStr Efficiently Calculating Anharmonic Frequencies of Molecular Vibration by Molecular Dynamics Trajectory Analysis
title_full_unstemmed Efficiently Calculating Anharmonic Frequencies of Molecular Vibration by Molecular Dynamics Trajectory Analysis
title_sort efficiently calculating anharmonic frequencies of molecular vibration by molecular dynamics trajectory analysis
publisher American Chemical Society
series ACS Omega
issn 2470-1343
publishDate 2019-05-01
url http://dx.doi.org/10.1021/acsomega.8b03364
work_keys_str_mv AT shaoqingwang efficientlycalculatinganharmonicfrequenciesofmolecularvibrationbymoleculardynamicstrajectoryanalysis
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