Correlation between energy, polarizability, and hardness profiles in the isomerization reaction of HNO and ClNO

Journal of Physical Chemistry A

Volumn 105, Issue 2, 2001, Pages 442-450

  Sicilia, E ^a,b   Russo, N ^a,b   Mineva, T ^a,b  

^a UNIVERSITY OF CALABRIA   (Italy)

^b INSTITUTE OF CATALYSIS   (Bulgaria)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; CHLORINE COMPOUNDS; ELECTRIC POTENTIAL; ELECTRON ENERGY LEVELS; HARDNESS; NITRIC ACID; POLARIZATION; PROBABILITY DENSITY FUNCTION;

BOND ANGLE VARIATION; CHEMICAL POTENTIAL; DENSITY FUNCTIONAL THEORY; IONIC CHARACTER; POLARIZABILITY;

ISOMERIZATION;

EID: 0035138783     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp002350d     Document Type: Article

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