Multiresolution continuous wavelet transform for studying coupled solute–solvent vibrations via ab initio molecular dynamics
Author:
Affiliation:
1. Department of Chemical Sciences
2. University of Napoli Federico II
3. Complesso Universitario di M. S. Angelo
4. I-80126 Napoli
5. Italy
Abstract
Solute–solvent coupled vibrations are unveiled using multiresolution wavelet transform of generalized cluster normal modes from ab initio molecular dynamics.
Funder
Gaussian
Ministero dell’Istruzione, dell’Università e della Ricerca
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP02495C
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