Finite Temperature Infrared Spectra from Polarizable Molecular Dynamics Simulations
Author:
Affiliation:
1. Laboratoire de Chimie Moléculaire, Ecole polytechnique, CNRS, 91128 Palaiseau Cedex, France, and
2. CEA/Saclay, DSM/IRAMIS/NIMBE, CNRS, Laboratoire de Chimie Moléculaire et de Catalyse pour l’Energie, 91191 Gif-sur-Yvette, France
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct5004065
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1. Vibrational Spectroscopy in Life Science
2. Room-Temperature Infrared Spectroscopy Combined with Mass Spectrometry Distinguishes Gas-Phase Protein Isomers
3. Amide-I and -II Vibrations of the Cyclic β-Sheet Model Peptide Gramicidin S in the Gas Phase
4. Structure of Sodiated Polyglycines
5. Determination of Noncovalent Docking by Infrared Spectroscopy of Cold Gas-Phase Complexes
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