GUI Implementation of VCDtools, A Program to Analyze Computed Vibrational Circular Dichroism Spectra.

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第一作者： Mark A J,Koenis

第一单位： Van 't Hoff Institute for Molecular Sciences , University of Amsterdam , Science Park 904 , 1098 XH Amsterdam , The Netherlands.

作者： Mark A J,Koenis ^[1] ; Olivier,Visser ^[2] ; Lucas,Visscher ^[3] ; Wybren J,Buma ^[1] ; Valentin P,Nicu ^[4]

作者单位： Van 't Hoff Institute for Molecular Sciences , University of Amsterdam , Science Park 904 , 1098 XH Amsterdam , The Netherlands. ^[1] Software for Chemisty and Materials , De Boelelaan 1083 , 1081 HV Amsterdam , The Netherlands. ^[2] Amsterdam Center for Multiscale Modeling, Section Theoretical Chemistry, Faculty of Sciences , Vrije Universiteit Amsterdam , De Boelelaan 1083 , 1081 HV Amsterdam , The Netherlands. ^[3] Institute for Molecules and Materials, FELIX Laboratory , Radboud University , Toernooiveld 7c , 6525 ED Nijmegen , The Netherlands. ^[4] Department of Environmental Science, Physics, Physical Education and Sport , Lucian Blaga University of Sibiu , loan Ratiu Street, Number 7-9 , 550012 Sibiu , Romania. ^[5]

主题词圆二色性(Circular Dichroism);软件(Software);立体异构现象(Stereoisomerism)

DOI 10.1021/acs.jcim.9b00956

PMID 31830414

发布时间 2021-02-09

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