Fast and Accurate Quantum Chemical Modeling of Infrared Spectra of Condensed-Phase Systems.

Katsyuba, Sergey A; Spicher, Sebastian; Gerasimova, Tatiana P; Grimme, Stefan

Katsyuba, Sergey A; Spicher, Sebastian; Gerasimova, Tatiana P; Grimme, Stefan.

Afiliación

Katsyuba SA; Arbuzov Institute of Organic and Physical Chemistry, FRC Kazan Scientific Centre of RAS, Arbuzov st. 8, 420088 Kazan, Russia.
Spicher S; Mulliken Center for Theoretical Chemistry, Institut für Physikalische und Theoretische Chemie der Universität Bonn, Beringstr. 4, 53115 Bonn, Germany.
Gerasimova TP; Arbuzov Institute of Organic and Physical Chemistry, FRC Kazan Scientific Centre of RAS, Arbuzov st. 8, 420088 Kazan, Russia.
Grimme S; Mulliken Center for Theoretical Chemistry, Institut für Physikalische und Theoretische Chemie der Universität Bonn, Beringstr. 4, 53115 Bonn, Germany.

J Phys Chem B ; 124(30): 6664-6670, 2020 07 30.

Article en En | MEDLINE | ID: mdl-32633534

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Texto completo: 1 Banco de datos: MEDLINE Idioma: En Revista: J Phys Chem B Asunto de la revista: QUIMICA Año: 2020 Tipo del documento: Article País de afiliación: Rusia

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