QM/MM methods in inorganic chemistry
Author:
Publisher
Royal Society of Chemistry (RSC)
Subject
Inorganic Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2008/DT/B718076D
Reference102 articles.
1. Theoretical Studies on Reactions of Transition-Metal Complexes
2. Theoretical Studies of Some Transition-Metal-Mediated Reactions of Industrial and Synthetic Importance
3. Tools of the trade in modeling inorganic reactions. From balls and sticks to HOMO's and LUMO'sBased on the presentation given at Dalton Discussion No. 4, 10–13th January 2002, Kloster Banz, Germany.
4. Theoretical Methods of Potential Use for Studies of Inorganic Reaction Mechanisms
5. Theoretical studies of enzymic reactions: Dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme
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