Breathing-orbital valence bond method - A modern valence bond method that includes dynamic correlation

Theoretical Chemistry Accounts

Volumn 108, Issue 5, 2002, Pages 255-272

  Hiberty, Philippe C ^a   Shaik, Sason ^b  

^a UNIVERSITÉ PARIS SUD   (France)

^b HEBREW UNIVERSITY OF JERUSALEM   (Israel)

Author keywords

Breathing orbitals; Diabatic states; Dynamic electron correlation; Resonance energy; Valence bond

Indexed keywords

CARBON; CATION; CHLORIDE; FLUORINE DERIVATIVE; HYDROFLUORIC ACID; ION; SILICON; TRANSITION ELEMENT;

ACCURACY; CALCULATION; CHEMICAL BOND; CHEMICAL STRUCTURE; CORRELATION ANALYSIS; COVALENT BOND; DISSOCIATION; DYNAMICS; ELECTRICITY; ELECTRON; ELECTRON TRANSPORT; ENERGY; ENERGY TRANSFER; METHODOLOGY; MOLECULE; POLARIZATION; PROCESS OPTIMIZATION; REVIEW; SURFACE PROPERTY; THEORY; ZETA POTENTIAL;

EID: 0036027246     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-002-0364-8     Document Type: Review

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