Estimating molecular electronic chemical potential and hardness from fragments' addition schemes

Journal of Physical Chemistry A

Volumn 106, Issue 17, 2002, Pages 4443-4446

  Sengupta, Santanu ^a   Toro Labbé, Alejandro ^a  

^a PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE   (Chile)

Author keywords

[No Author keywords available]

Indexed keywords

ADDITION SCHEMES; MOLECULAR ELECTRONIC CHEMICAL POTENTIAL;

ADDITION REACTIONS; FINITE ELEMENT METHOD; HARDNESS; NUMERICAL METHODS;

MOLECULAR DYNAMICS;

EID: 0037007599     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp020043x     Document Type: Article

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