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

DOI10.1016/S0097-8485(00)00069-3zbMath1180.92098WikidataQ74244956 ScholiaQ74244956MaRDI QIDQ4458857

Sergio Magni, Guido Sello

Publication date: 14 March 2004

Published in: Computers & Chemistry (Search for Journal in Brave)

zbMATH Keywords

Modelling; Congestion; Flexibility; Reactivity; Centre accessibility

Mathematics Subject Classification ID

92E20: Classical flows, reactions, etc. in chemistry