scholarly journals Quantum Mechanical Modeling of the Interactions between Noble Metal (Ag and Au) Nanoclusters and Water with the Effective Fragment Potential Method

ACS Omega ◽  
2020 ◽  
Vol 5 (13) ◽  
pp. 7446-7455 ◽  
Author(s):  
Anh L. Tran ◽  
Emilie B. Guidez
Keyword(s):  
Noble Metal ◽  
Potential Method ◽  
Quantum Mechanical ◽  
Mechanical Modeling ◽  
Au Nanoclusters ◽  
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
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