Bonding in ClFn (n = 1-7) Molecules: Further insight into the electronic structure of hypervalent molecules and recoupled pair bonds

Journal of Physical Chemistry A

Volumn 113, Issue 45, 2009, Pages 12645-12654

  Chen, Lina ^a   Woon, David E ^a   Dunning Jr , Thorn H ^a  

^a UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANTIBONDING ORBITAL; BOND ENERGIES; CCSD; CORRELATION CONSISTENT BASIS SETS; ELECTRON PAIR; HIGH-LEVEL AB INITIO CALCULATIONS; HYPERCOORDINATION; LOW-LYING EXCITED STATE; LOW-LYING STATE; NEW STUDY; OPTIMIZED STRUCTURES; PAIR BONDING; PREDICTIVE ABILITIES; VALENCE ELECTRON;

ELECTRIC EXCITATION; ELECTRONIC STRUCTURE;

MOLECULES;

EID: 70449441034     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp905064v     Document Type: Article

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