Density-functional approach to hardness evaluation and its use in the study of the maximum hardness principle

Journal of the American Chemical Society

Volumn 120, Issue 35, 1998, Pages 9053-9058

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

^a NONE

Author keywords

[No Author keywords available]

Indexed keywords

HYDROGEN CYANIDE; NITROGEN ACID DERIVATIVE; PHOSPHORUS ACID DERIVATIVE; SILICON DERIVATIVE;

ARTICLE; CALCULATION; CHEMICAL REACTION; DENSITY; HARDNESS; ISOMERISM; THEORY; THERMODYNAMICS;

EID: 0032500320     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja974149v     Document Type: Article

References (4)

1. Pearson, R. G. J. Am. Chem. Soc. 1963, 85, 3533.
2. Sanderson, R. T. Chemical Bonds and Bond Energy, 2nd ed.; Academic: New York, 1976.
3. Parr, R. G.; Yang, W. Density-Functional Theory of Atoms and Molecules; Oxford University Press: New York, 1989.
4. Parr, R. G.; Donnelly, R. A.; Levy, M.; Palke, W. E. J. Chem. Phys. 1978, 69, 4491.