DFT study and heat capacity of polyaniline pernigraniline base

Journal of Physical Chemistry B

Volumn 113, Issue 29, 2009, Pages 9702-9707

  Mishra, Abhishek Kumar ^a   Tandon, Poonam ^b  

^a AMITY UNIVERSITY   (India)

^b UNIVERSITY OF LUCKNOW   (India)

Author keywords

[No Author keywords available]

Indexed keywords

POLYANILINE; PROBABILITY DENSITY FUNCTION; SPECIFIC HEAT;

BASIS SETS; DFT STUDY; ELECTRON DENSITIES; ELECTROSTATIC POTENTIAL SURFACE; GEOMETRY OPTIMIZATION; HEAT CAPACITIES; ISO SURFACE; MODEL COMPOUND; PERNIGRANILINE BASE; STRUCTURAL PARAMETER; TEMPERATURE RANGE;

CHEMICAL REACTIVITY;

EID: 67650812950     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp901143m     Document Type: Article

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