Unpaired and σ bond electrons as H, Cl, and Li bond acceptors: An anomalous one-electron blue-shifting chlorine bond

Journal of Physical Chemistry A

Volumn 111, Issue 39, 2007, Pages 9699-9706

  Raghavendra, B ^a   Arunan, E ^a  

^a INDIAN INSTITUTE OF SCIENCE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; LITHIUM; OPTIMIZATION;

BASIS SETS; FREQUENCY CALCULATIONS;

HYDROGEN INORGANIC COMPOUNDS;

CHLORINE; HYDROGEN; LITHIUM;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER PROGRAM; CONFORMATION; ELECTRON; HYDROGEN BOND; METHODOLOGY; PHYSICAL CHEMISTRY; THEORETICAL MODEL; THERMODYNAMICS;

CHEMISTRY, PHYSICAL; CHLORINE; ELECTRONS; HYDROGEN; HYDROGEN BONDING; LITHIUM; MODELS, THEORETICAL; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; SOFTWARE; THERMODYNAMICS;

EID: 35348959900     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp073667h     Document Type: Article

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