Reaction centre accessibility. I. Calculation of reaction centre congestion and influence of structure flexibility

Computers and Chemistry

Volumn 24, Issue 6, 2000, Pages 635-644

  Magni, Sergio ^a   Sello, Guido ^a  

^a UNIVERSITY OF MILAN   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL GEOMETRY; CONFORMATIONS; ELECTRONIC STRUCTURE; GROUND STATE; MATHEMATICAL MODELS;

STERIC CONGESTION;

REACTION KINETICS;

EID: 0034273268     PISSN: 00978485     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0097-8485(00)00068-1     Document Type: Article

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