RUB Research School

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Author
Name Santoro, Ernesto
ernesto.santoro@ruhr-uni-bochum.de
Research field Stereochemistry and chiroptical spectroscopies
Career stage postdoc
Home university/institution Vanderbilt University
Department/Research unit at home university/institution College of Arts and Science
Chair/Working group at home institution Prof. Prasad L. Polavarapu

International activity
Country Germany
Location Bochum
University Ruhr-Universität Bochum (RUB)
Fund Research School PR.INT
Type of activity research stay
Period starts 01-04-2020
ends 30-06-2020
Keywords VCD, ECD, ORD, Stereochemistry, Computation, DFT, Solvation
Report Inter-molecular interactions, with the study of the salvation effect in the explicit form, the study of molecular dynamics and integration of this study in my usual workflow for the absolute configuration assignment through DFT simulation of the circular dichroism properties of the chiral molecules.
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