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RSS Feeds[ASAP] Imaginary Shift in CASPT2 Nuclear Gradient and Derivative Coupling Theory (Journal of Chemical Theory and Computation)

 
 

25 june 2019 05:00:17

 
[ASAP] Imaginary Shift in CASPT2 Nuclear Gradient and Derivative Coupling Theory (Journal of Chemical Theory and Computation)
 


Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.9b00368


 
135 viewsCategory: Chemistry
 
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[ASAP] Replacement of Protein Binding-Site Waters Contributes to Favorable Halogen Bond Interactions (Journal of Chemical Information and Modeling)
 
 
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