Electronic structure, stability, and nature of bonding of the complexes of C2H2 and C2H4 with H+, Li+, and Na+ ions. Extensive ab initio and density functional study

Journal of Physical Chemistry A

Volumn 105, Issue 32, 2001, Pages 7737-7744

  Kar, Tapas ^a   Ponec, R ^b   Sannigrahi, A B ^c  

^a UTAH STATE UNIVERSITY   (United States)

^b INSTITUTE OF CHEMICAL PROCESS FUNDAMENTALS   (Czech Republic)

^c INDIAN INSTITUTE OF TECHNOLOGY   (India)

Author keywords

[No Author keywords available]

Indexed keywords

DISSOCIATION ENERGIES (DE);

CARRIER CONCENTRATION; CHARGE TRANSFER; CHEMICAL BONDS; COMPLEXATION; DISSOCIATION; ELECTRONIC STRUCTURE; GROUND STATE; IONS; OPTIMIZATION; PROBABILITY DENSITY FUNCTION;

ETHYLENE;

EID: 0035899762     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp011513a     Document Type: Article

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