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Effective Fragment Potential Method
The Effective Fragment Potential (EFP) method is a computational approach designed to describe intermolecular interactions and environmental effects…
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Q-Chem
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2014
2014
Density functional Theory Based Generalized Effective Fragment Potential Method (Postprint)
R. Pachter
,
K. Nguyen
,
P. N. Day
2014
Corpus ID: 53634980
Abstract : We present a generalized Kohn-Sham (KS) density functional theory (DFT) based effective fragment potential (EFP2-DFT…
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2009
2009
CHAPTER 8 COARSE-GRAINED INTERMOLECULAR POTENTIALS DERIVED FROM THE EFFECTIVE FRAGMENT POTENTIAL : APPLICATION TO WATER , BENZENE , AND CARBON TETRACHLORIDE
G. Pranami
,
L. Slipchenko
,
Monica H Lamm
,
M. Gordon
2009
Corpus ID: 4186818
A force matching technique based on previous work by Voth and co-workers is developed and employed to coarse grain intermolecular…
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2008
2008
Modeling theta-theta Interactions with the Effective Fragment Potential Method: The Benzene Dimer and Substituents
T. Smithl
,
L. Slipchenko
,
M. Gordon
2008
Corpus ID: 100647784
This study compares the results of the general effective fragment potential (EFP2) method to the results of a previous combined…
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Review
2001
Review
2001
DIVISION OF COMPUTERS IN CHEMISTRY ABSTRACTS
B. Bursten
,
Michele L. Goodbread
,
+6 authors
Hui Li
2001
Corpus ID: 51842775
text not available. 52. FINGERPRINT ANALYSIS OF PROTEINS AND LIGANDS FOR HIGH-THROUGHPUT SCREENING. W. Todd Wipke, Zheng Yang…
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