An energy decomposition analysis for intermolecular interactions from an absolutely localized molecular orbital reference at the coupled-cluster singles and doubles level

2012 ◽  
Vol 136 (2) ◽  
pp. 024103 ◽  
Author(s):  
R. Julian Azar ◽  
Martin Head-Gordon
Keyword(s):  
Molecular Orbital ◽  
Intermolecular Interactions ◽  
Decomposition Analysis ◽  
Coupled Cluster ◽  
Energy Decomposition Analysis ◽  
Energy Decomposition

scholarly journals Nature of the Ru−NO Coordination Bond: Kohn-Sham Molecular Orbital and Energy Decomposition Analysis

ChemistryOpen ◽  
2017 ◽  
Vol 6 (3) ◽  
pp. 410-416 ◽  
Author(s):  
Renato P. Orenha ◽  
Marcus V. J. Rocha ◽  
Jordi Poater ◽  
Sérgio E. Galembeck ◽  
F. Matthias Bickelhaupt
Keyword(s):  
Molecular Orbital ◽  
Decomposition Analysis ◽  
Coordination Bond ◽  
Energy Decomposition Analysis ◽  
Energy Decomposition
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