Methyl and phenyl substitution effects on the proton affinities of hydrides of first and second row elements and substituent effects on the proton affinities of ring carbons in benzene: A DFT study

Journal of Physical Chemistry A

Volumn 110, Issue 13, 2006, Pages 4509-4515

  Nam, Pham Cam ^a,b   Nguyen, Minh Tho ^a   Chandra, Asit K ^c  

^a UNIVERSITY OF LEUVEN   (Belgium)

^b THE UNIVERSITY OF DANANG   (Viet Nam)

^c NORTH EASTERN HILL UNIVERSITY   (India)

Author keywords

[No Author keywords available]

Indexed keywords

CORRELATION METHODS; HYDRIDES; PROBABILITY DENSITY FUNCTION; PROTONS; SUBSTITUTION REACTIONS;

DENSITY FUNCTIONAL THEORY (DFT); PROTON AFFINITIES; RING CARBON ATOMS; SUBSTITUTION EFFECTS;

BENZENE;

BENZENE; BORANE DERIVATIVE; METHANE; PROTON;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; QUANTUM THEORY;

BENZENE; BORANES; METHANE; MODELS, CHEMICAL; PROTONS; QUANTUM THEORY;

EID: 33646367651     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp055219k     Document Type: Article

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