An MO-based identification of charge-shift bonds

ChemPhysChem

Volumn 13, Issue 9, 2012, Pages 2377-2381

  Gershoni Poranne, Renana ^a   Stanger, Amnon ^a  

^a TECHNION ISRAEL INSTITUTE OF TECHNOLOGY   (Israel)

Author keywords

ab initio calculations; charge shift bonds; configuration interaction; Hartree Fock; isodesmic equations

Indexed keywords

CALCULATIONS; MOLECULAR PHYSICS;

AB INITIO CALCULATIONS; CHARGE-SHIFT BONDS; CONFIGURATION INTERACTIONS; HARTREE-FOCK; ISODESMIC EQUATIONS;

QUANTUM CHEMISTRY;

EID: 84862202250     PISSN: 14394235     EISSN: 14397641     Source Type: Journal    
DOI: 10.1002/cphc.201200147     Document Type: Article

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