Comparison of the Effective Fragment Potential Method with Symmetry-Adapted Perturbation Theory in the Calculation of Intermolecular Energies for Ionic Liquids

2016 ◽  
Vol 12 (6) ◽  
pp. 2553-2568 ◽  
Author(s):  
Samuel Y. S. Tan ◽  
Ekaterina I. Izgorodina
Keyword(s):  
Perturbation Theory ◽  
Ionic Liquids ◽  
Potential Method ◽  
Effective Fragment Potential

Solvent-Induced Frequency Shifts: Configuration Interaction Singles Combined with the Effective Fragment Potential Method

2010 ◽  
Vol 114 (25) ◽  
pp. 6742-6750 ◽  
Author(s):  
Pooja Arora ◽  
Lyudmila V. Slipchenko ◽  
Simon P. Webb ◽  
Albert DeFusco ◽  
Mark S. Gordon
Keyword(s):  
Configuration Interaction ◽  
Potential Method ◽  
Frequency Shifts ◽  
Effective Fragment Potential

scholarly journals Noncovalent Interactions in Extended Systems Described by the Effective Fragment Potential Method: Theory and Application to Nucleobase Oligomers

2010 ◽  
Vol 114 (48) ◽  
pp. 12739-12754 ◽  
Author(s):  
Debashree Ghosh ◽  
Dmytro Kosenkov ◽  
Vitalii Vanovschi ◽  
Christopher F. Williams ◽  
John M. Herbert ◽  
...  
Keyword(s):  
Noncovalent Interactions ◽  
Potential Method ◽  
Effective Fragment Potential ◽  
Extended Systems

Effective fragment potential method inQ-CHEM: A guide for users and developers

2013 ◽  
Vol 34 (12) ◽  
pp. 1060-1070 ◽  
Author(s):  
Debashree Ghosh ◽  
Dmytro Kosenkov ◽  
Vitalii Vanovschi ◽  
Joanna Flick ◽  
Ilya Kaliman ◽  
...  
Keyword(s):  
Potential Method ◽  
Effective Fragment Potential
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