Condensed Fukui functions derived from stockholder charges: Assessment of their performance as local reactivity descriptors

Journal of Physical Chemistry A

Volumn 106, Issue 15, 2002, Pages 3885-3890

  Oláh, Julianna ^a,c   Alsenoy, C Van ^a   Sannigrahi, A B ^b  

^a UNIVERSITY OF ANTWERP   (Belgium)

^b Hijli Cooperative Housing Society   (India)

^c BUDAPEST UNIVERSITY OF TECHNOLOGY AND ECONOMICS   (Hungary)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ATOMS; CARRIER CONCENTRATION; ELECTRON ENERGY LEVELS; ELECTRONS; FINITE DIFFERENCE METHOD; MOLECULAR STRUCTURE; MOLECULES; PROBABILITY DENSITY FUNCTION;

CONDENSED FUKUI FUNCTION; ELECTROPHILIC ATTACK; ELECTROPHILICITY; FINITE DIFFERENCE APPROXIMATION; NUCLEOPHILIC ATTACK;

MOLECULAR DYNAMICS;

EID: 0037129484     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp014039h     Document Type: Article

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