Bend Excitation Is Predicted to Greatly Accelerate Isomerization of trans-Hydroxymethylene to Formaldehyde in the Deep Tunneling Region
Author:
Affiliation:
1. Cherry L. Emerson Center for Scientific Computation and Department of Chemistry, Emory University, Atlanta, Georgia 30322, United States
Funder
U.S. Department of Energy
Army Research Office
Publisher
American Chemical Society (ACS)
Subject
General Materials Science,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jz5022944
Reference16 articles.
1. Capture of hydroxymethylene and its fast disappearance through tunnelling
2. The theoretical prediction of infrared spectra of trans- and cis-hydroxycarbene calculated using full dimensional ab initio potential energy and dipole moment surfaces
3. Communication: Helium nanodroplet isolation and rovibrational spectroscopy of hydroxymethylene
4. Mode-specific tunneling using the Qim path: Theory and an application to full-dimensional malonaldehyde
5. A Global ab Initio Potential Energy Surface for Formaldehyde
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