Using sanderson's principle to estimate global electronic properties and bond energies of hydrogen-bonded complexes

Journal of Physical Chemistry A

Volumn 104, Issue 39, 2000, Pages 8955-8964

  Gutiérrez Oliva, Soledad ^a   Jaque, Pablo ^a   Toro Labbé, Alejandro ^a  

^a PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE   (Chile)

Author keywords

[No Author keywords available]

Indexed keywords

ADDITION REACTIONS; APPROXIMATION THEORY; BINDING ENERGY; CARRIER CONCENTRATION; COMPUTATIONAL METHODS; ELECTRONIC PROPERTIES; FINITE DIFFERENCE METHOD; LAGRANGE MULTIPLIERS;

DENSITY FUNCTIONAL THEORY; ELECTRONEGATIVITY; FINITE DIFFERENCE APPROXIMATION; GEOMETRIC MEAN EQUALIZATION PRINCIPLE; HYDROGEN BONDED COMPLEXES; KOOPMAN THEOREM; MOLECULAR HARDNESS;

HYDROGEN BONDS;

EID: 0038795357     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp000777e     Document Type: Article

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