Advances in density-functional-based modeling techniques - Recent extensions of the Car-Parrinello approach

A review discusses the basic concepts of the Car-Parrinello method, some of the recent methodol. extensions, focusing on aspects with potential interest for applications in medicinal chem., and the advantages and limitations of new modeling tools.


Published in:
Methods and Principles in Medicinal Chemistry, 5-39
Year:
2003
Publisher:
Weinheim, Wiley-VCH
Laboratories:




 Record created 2006-02-27, last modified 2018-01-27


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