Development of polarizable force fields and hybrid QM/MM methods for the study of reaction mechanisms
Computational chemists have successfully simulated many systems by applying the principles of quantum mechanics, while approximate molecular mechanical models have seen great utility in problems of biochemical interest. In recent years, a number of methods have been developed to combine the advantag...
| Main Author: | |
|---|---|
| Other Authors: | |
| Published: |
University of Oxford
2003
|
| Subjects: | |
| Online Access: | http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.401052 |