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book part or chapter
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.
Type
book part or chapter
Authors
Publication date
2003
Publisher
Published in
Methods and Principles in Medicinal Chemistry
Publisher place
Weinheim
Start page
5
End page
39
Series title/Series vol.
Methods and Principles in Medicinal Chemistry; 17
Peer reviewed
REVIEWED
EPFL units
Available on Infoscience
February 27, 2006
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