Quantum Mechanical Investigation of Mode-Specific Tunneling upon Fundamental Excitation in Malonaldehyde
Author:
Affiliation:
1. Beijing National Laboratory for Molecular Sciences, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, China
2. University of Chinese Academy of Sciences, Beijing 100049, China
Funder
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.6b00340
Reference46 articles.
1. Multidimensional quantum dynamics and infrared spectroscopy of hydrogen bonds
2. Mode-Specific Tunneling Splittings for a Sequential Double-Hydrogen Transfer Case: An Accurate Quantum Mechanical Scheme
3. Reaction surface description of intramolecular hydrogen atom transfer in malonaldehyde
4. An instanton approach to intramolecular hydrogen exchange: Tunneling splittings in malonaldehyde and the hydrogenoxalate anion
5. Semiclassical calculations of tunneling splitting in malonaldehyde
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