Open AccessVibrational Circular Dichroism from DFT Molecular Dynamics: The AWV Method
Author(s) -
Daria Ruth Galimberti
Publication year - 2022
Publication title -
journal of chemical theory and computation
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 2.001
H-Index - 185
eISSN - 1549-9626
pISSN - 1549-9618
DOI - 10.1021/acs.jctc.2c00736
Subject(s) - observable , spectral line , molecular dynamics , fourier transform , density functional theory , phase (matter) , physics , chemistry , computational chemistry , molecular physics , quantum mechanics
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