Local molecular properties and their use in predicting reactivity

Journal of Molecular Modeling

Volumn 9, Issue 5, 2003, Pages 342-347

  Ehresmann, Bernd ^a   Martin, Bodo ^a   Horn, Anselm H C ^a   Clark, Timothy ^a  

^a UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

Author keywords

AM1; Local electron affinity; Local hardness; Local ionization energy; Surface properties

Indexed keywords

ACETALDOXIME; FLUOROMETHANE; METHYL BROMIDE; METHYL CHLORIDE; SULFUR; WATER;

ARTICLE; BINDING AFFINITY; CHEMICAL REACTION; CONTROLLED STUDY; ELECTRON; HARDNESS; IONIZATION; MOLECULAR MODEL; POLARIZATION; PREDICTION; PRIORITY JOURNAL; SUBSTITUTION REACTION; SURFACE PROPERTY;

BROMINE; CHLORINE; ELECTRONS; FLUORINE; IONS; MODELS, MOLECULAR; SULFUR;

EID: 0347930758     PISSN: 16102940     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00894-003-0153-x     Document Type: Article

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