A simple and efficient dispersion correction to the Hartree-Fock theory

Bioorganic and Medicinal Chemistry Letters

Volumn 24, Issue 4, 2014, Pages 1037-1042

  Yoshida, Tatsusada ^a   Mashima, Akira ^a   Sasahara, Katsunori ^a   Chuman, Hiroshi ^a  

^a UNIVERSITY OF TOKUSHIMA   (Japan)

Author keywords

Coupled cluster theory; Density functional theory; Dispersion energy correction; Hartree Fock theory; Non covalent complex; Protein ligand interaction energy

Indexed keywords

COUPLED CLUSTER THEORY; DENSITY FUNCTIONAL THEORY; DISPERSION ENERGY CORRECTION; HARTREE-FOCK THEORY; NON-COVALENT COMPLEX; PROTEIN-LIGAND INTERACTION ENERGY;

QUANTUM THEORY;

EID: 84893780961     PISSN: 0960894X     EISSN: 14643405     Source Type: Journal    
DOI: 10.1016/j.bmcl.2014.01.020     Document Type: Article

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