Fukui indices from perturbed kohn-sham orbitals and regional softness from mayer atomic valences

Journal of Physical Chemistry A

Volumn 105, Issue 10, 2001, Pages 1959-1967

  Mineva, T ^b   Parvanov, V ^b   Petrov, I ^b   Neshev, N ^b   Russo, N ^a  

^a UNIVERSITY OF CALABRIA   (Italy)

^b INSTITUTE OF CATALYSIS   (Bulgaria)

Author keywords

[No Author keywords available]

Indexed keywords

KOHN-SHAM ORBITALS; MAYER ATOMIC VALENCES;

ADDITION REACTIONS; AROMATIC HYDROCARBONS; CHEMICAL REACTIONS; MOLECULAR DYNAMICS; OLEFINS; PERTURBATION TECHNIQUES; PROBABILITY DENSITY FUNCTION; STIFFNESS MATRIX;

ATOMIC PHYSICS;

EID: 0035868729     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp003458w     Document Type: Article

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