Coupled-cluster sum-frequency generation nonlinear susceptibilities of methyl (CH3) and methylene (CH2) groups
Author:
Affiliation:
1. Laboratoire de Chimie Théorique (LCT)
2. Unité de Chimie-Physique Théorique et Structurale (UCPTS)
3. University of Namur
4. B-5000 Namur
5. Belgium
Abstract
CCSD benchmarks of the sum-frequency generation vibrational signatures of methyl and methylene groups.
Funder
Fonds De La Recherche Scientifique - FNRS
Université de Namur
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2017/CP/C7CP03509H
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5. Determining In Situ Protein Conformation and Orientation from the Amide-I Sum-Frequency Generation Spectrum: Theory and Experiment
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