Spectroscopy from Machine Learning by Accurately Representing the Atomic Polar Tensor
Author:
Affiliation:
1. Department of Physics and Astronomy and Thomas Young Centre, University College London, LondonWC1E 6BT, United Kingdom
Funder
Deutsche Akademie der Naturforscher Leopoldina - Nationale Akademie der Wissenschaften
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c00788
Reference72 articles.
1. Infrared-spectroscopic nanoimaging with a thermal source
2. Vibrational Spectroscopy as a Probe of Structure and Dynamics in Liquid Water
3. Vibrational Spectroscopy and Dynamics of Water
4. Watching hydrogen-bond dynamics in a β-turn by transient two-dimensional infrared spectroscopy
5. Spectroscopic snapshots of the proton-transfer mechanism in water
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