Nonadiabatic ab initio molecular dynamics of photoisomerization reaction between 1,3-cyclohexadiene and 1,3,5-cis-hexatriene
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference72 articles.
1. Reversible Surface Morphology Changes of a Photochromic Diarylethene Single Crystal by Photoirradiation
2. Dynamics and Mechanisms of the Multiphoton Gated Photochromic Reaction of Diarylethene Derivatives
3. What Happens during the Picosecond Lifetime of 2A1 Cyclohexa-1,3-diene? A CAS-SCF Study of the Cyclohexadiene/Hexatriene Photochemical Interconversion
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1. Ultrafast Photoinduced Dynamics in 1,3-Cyclohexadiene: A Comparison of Trajectory Surface Hopping Schemes†;Journal of Chemical Theory and Computation;2024-07-01
2. Generalized Semiclassical Ehrenfest Method: A Route to Wave Function-Free Photochemistry and Nonadiabatic Dynamics with Only Potential Energies and Gradients;Journal of Chemical Theory and Computation;2024-05-31
3. Deciphering the Internal Conversion Processes Involved in the Photochemical Ring-Opening of 1,3-Cyclohexadiene by Symmetric sp2-Carbon Substitutions;The Journal of Physical Chemistry A;2024-03-01
4. Thermal Ring-Opening Dynamics of 1,3-Cyclohexadiene Investigated Using High Harmonic Generation;Topics in Applied Physics;2024
5. Photochemical Ring-Opening Reaction of 1,3-Cyclohexadiene: Identifying the True Reactive State;Journal of the American Chemical Society;2022-11-29
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