Efficiently Calculating Anharmonic Frequencies of Molecular Vibration by Molecular Dynamics Trajectory Analysis
| Main Author: | |
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| Format: | Article |
| Language: | English |
| Published: |
American Chemical Society
2019-05-01
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| Series: | ACS Omega |
| Online Access: | http://dx.doi.org/10.1021/acsomega.8b03364 |
| _version_ | 1818249191563984896 |
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| author | Shaoqing Wang |
| author_facet | Shaoqing Wang |
| author_sort | Shaoqing Wang |
| collection | DOAJ |
| first_indexed | 2024-12-12T15:32:34Z |
| format | Article |
| id | doaj.art-b6278d40af7c41b3b8aa87c76b64d41f |
| institution | Directory Open Access Journal |
| issn | 2470-1343 |
| language | English |
| last_indexed | 2024-12-12T15:32:34Z |
| publishDate | 2019-05-01 |
| publisher | American Chemical Society |
| record_format | Article |
| series | ACS Omega |
| spelling | doaj.art-b6278d40af7c41b3b8aa87c76b64d41f2022-12-22T00:20:06ZengAmerican 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 |
| spellingShingle | Shaoqing Wang Efficiently Calculating Anharmonic Frequencies of Molecular Vibration by Molecular Dynamics Trajectory Analysis ACS Omega |
| title | 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_short | 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 |
| url | http://dx.doi.org/10.1021/acsomega.8b03364 |
| work_keys_str_mv | AT shaoqingwang efficientlycalculatinganharmonicfrequenciesofmolecularvibrationbymoleculardynamicstrajectoryanalysis |