Rotamers of Methanediol: Composite Ab Initio Predictions of Structures, Frequencies, and Rovibrational Constants
Author:
Affiliation:
1. Department of Chemistry, University of Florida, Gainesville, Florida32611, United States
Funder
Basic Energy Sciences
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.2c06686
Reference107 articles.
1. Proton and carbon-13 nuclear magnetic resonance spectrometry of formaldehyde in water
2. Theoretical Study of Decomposition of Methanediol in Aqueous Solution
3. Ab initiomolecular dynamics study of aqueous formaldehyde and methanediol
4. Dehydration of Methanediol in Aqueous Solution: An ONIOM(QM/MM) Study
5. Gas Phase Hydrolysis of Formaldehyde To Form Methanediol: Impact of Formic Acid Catalysis
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