An improved quasi-diabatic representation of the 1, 2, 31A coupled adiabatic potential energy surfaces of phenol in the full 33 internal coordinates
Author:
Affiliation:
1. Department of Chemistry, Johns Hopkins University, Baltimore, Maryland 21218, USA
Funder
Basic Energy Sciences (BES)
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/am-pdf/10.1063/1.4944091
Reference38 articles.
1. High resolution photofragment translational spectroscopy studies of the near ultraviolet photolysis of phenol
2. Ab initio characterization of the conical intersections involved in the photochemistry of phenol
3. Dynamics at conical intersections: The influence of O–H stretching vibrations on the photodissociation of phenol
4. Tunnelling under a conical intersection: Application to the product vibrational state distributions in the UV photodissociation of phenols
5. Diabatic Molecular Orbitals, Potential Energies, and Potential Energy Surface Couplings by the 4-fold Way for Photodissociation of Phenol
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