Efficient Quantum Mechanical Calculations of Mode-Specific Tunneling Splittings upon Fundamental Excitation in the Dimer of Formic Acid
Author:
Affiliation:
1. Beijing National Laboratory for Molecular Sciences, Institute of Chemistry, Chinese Academy of Sciences, 100190 Beijing, China
2. School of Chemical Sciences, University of Chinese Academy of Sciences, 100049 Beijing, China
Funder
Youth Innovation Promotion Association of the Chinese Academy of Sciences
National Natural Science Foundation of China
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.0c05471
Reference57 articles.
1. Proton Transfer in Homodimers of Carboxylic Acids: The Rotational Spectrum of the Dimer of Acrylic Acid
2. Hydrogen Tunneling in Enzymes and Biomimetic Models
3. Evidence for Two Forms, Double Hydrogen Tunneling, and Proximity of Excited States in Bridge-Substituted Porphycenes: Supersonic Jet Studies
4. Zero-Point Tunneling Splittings in Compounds with Multiple Hydrogen Bonds Calculated by the Rainbow Instanton Method
5. The hydrogen tunneling splitting in malonaldehyde: A full-dimensional time-independent quantum mechanical method
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