Inter- and intramolecular interactions. Inception and refinements of the SIBFA, molecular mechanics (SMM) procedure, a separable, polarizable methodology grounded on ab initio SCF/MP2 computations. Examples of applications to molecular recognition problems

Journal de Chimie Physique et de Physico-Chimie Biologique

Volumn 94, Issue 7-8, 1997, Pages 1365-1416

  Gresh, N ^a  

^a CNRS   (France)

Author keywords

Molecular interactions; Molecular mechanics; Quantum chemistry; SIBFA procedure

Indexed keywords

COMPUTER SIMULATION; CONFERENCE PAPER; ENERGY BALANCE; ENERGY TRANSFER; METHODOLOGY; MOLECULAR INTERACTION; MOLECULAR RECOGNITION; QUANTUM CHEMISTRY; QUANTUM MECHANICS;

EID: 0030755045     PISSN: 00217689     EISSN: None     Source Type: Journal    
DOI: 10.1051/jcp/1997941365     Document Type: Conference Paper

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