Reaction centre accessibility. II. Role of reaction centre congestion in the calculation of reaction centre accessibility

Computers and Chemistry

Volumn 24, Issue 6, 2000, Pages 645-657

  Magni, Sergio ^a   Sello, Guido ^a  

^a UNIVERSITY OF MILAN   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ELECTRONIC STRUCTURE; ESTIMATION; GROUND STATE; MOLECULAR ORIENTATION;

ELECTRONIC REACTIVITY; REACTION CENTERS;

REACTION KINETICS;

EID: 0034272963     PISSN: 00978485     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0097-8485(00)00069-3     Document Type: Article

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