Quantum vibration perturbation approach with polyatomic probe in simulating infrared spectra.

Cong, Yang; Zhai, Yu; Yang, Jitai; Grofe, Adam; Gao, Jiali; Li, Hui

Cong, Yang; Zhai, Yu; Yang, Jitai; Grofe, Adam; Gao, Jiali; Li, Hui.

Afiliación

Cong Y; Institute of Theoretical Chemistry, College of Chemistry, Jilin University, 2519 Jiefang Road, Changchun 130023, People's Republic of China. prof_huili@jlu.edu.cn.
Zhai Y; Institute of Theoretical Chemistry, College of Chemistry, Jilin University, 2519 Jiefang Road, Changchun 130023, People's Republic of China. prof_huili@jlu.edu.cn.
Yang J; Institute of Theoretical Chemistry, College of Chemistry, Jilin University, 2519 Jiefang Road, Changchun 130023, People's Republic of China. prof_huili@jlu.edu.cn.
Grofe A; Institute of Theoretical Chemistry, College of Chemistry, Jilin University, 2519 Jiefang Road, Changchun 130023, People's Republic of China. prof_huili@jlu.edu.cn.
Gao J; Department of Chemistry and Supercomputing Institute, University of Minnesota, 207 Pleasant Street, SE, Minneapolis, MN 55455, USA. gao@jialigao.org.
Li H; Institute of Systems and Physical Biology, Shenzhen Bay Laboratory, Shenzhen 518055, China.

Phys Chem Chem Phys ; 24(2): 1174-1182, 2022 Jan 04.

Article en En | MEDLINE | ID: mdl-34932049

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Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Idioma: En Revista: Phys Chem Chem Phys Asunto de la revista: BIOFISICA / QUIMICA Año: 2022 Tipo del documento: Article

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