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Improved potential energy surfaces of thioanisole and the effect of upper surface variations on the product distribution upon photodissociation
Yinan Shu
,
Donald G. Truhlar
Chemistry (Twin Cities)
Research output
:
Contribution to journal
›
Article
›
peer-review
23
Scopus citations
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Dive into the research topics of 'Improved potential energy surfaces of thioanisole and the effect of upper surface variations on the product distribution upon photodissociation'. Together they form a unique fingerprint.
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Keyphrases
Conical Intersection
25%
Current Capability
25%
Diabatic Potentials
25%
Direct Dynamics Simulations
25%
Dissociation Time
25%
Electron Correlation
25%
Non-adiabatic
25%
Nonadiabatic Process
25%
Photodissociation
100%
Potential Energy Matrix
50%
Potential Energy Surface
100%
Product Branching Ratios
25%
Product Distribution
100%
Quantitative Effects
25%
Simulation Time
25%
Surface Deviation
100%
Thioanisole
100%
Three-state
25%
Torsional Potential
25%
Chemistry
Electron Correlation
25%
Photodissociation
100%
Potential Energy
50%
Potential Energy Surface
100%
Product Distribution
100%
Thioanisole
100%
Torsional Potential
25%