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JCC
2007
79views more  JCC 2007»
14 years 11 months ago
Interfacing Q-Chem and CHARMM to perform QM/MM reaction path calculations
Abstract: A hybrid quantum mechanical/molecular mechanical (QM/MM) potential energy function with HartreeFock, density functional theory (DFT), and post-HF (RIMP2, MP2, CCSD) capab...
H. Lee Woodcock III, Milan Hodoscek, Andrew T. B. ...
CCE
2005
14 years 11 months ago
CFD analyses of complex flows
Computational fluid dynamics (CFD) of complex processes and complicated geometries embraces the transport of momentum, heat, and mass including the description of reaction kinetic...
Richard Farmer, Ralph Pike, Gary Cheng
TPDS
2008
157views more  TPDS 2008»
14 years 11 months ago
Distributed Localization Using a Moving Beacon in Wireless Sensor Networks
The localization of sensor nodes is a fundamental problem in sensor networks and can be implemented using powerful and expensive beacons. Beacons, the fewer the better, can acquire...
Bin Xiao, Hekang Chen, Shuigeng Zhou
UMUAI
2008
144views more  UMUAI 2008»
14 years 11 months ago
Tag-based user modeling for social multi-device adaptive guides
This paper aims to demonstrate that the principles of adaptation and user modeling, especially social annotation, can be integrated fruitfully with those of the Web 2.0 paradigm a...
Francesca Carmagnola, Federica Cena, Luca Console,...
BMCBI
2004
205views more  BMCBI 2004»
14 years 11 months ago
A combinational feature selection and ensemble neural network method for classification of gene expression data
Background: Microarray experiments are becoming a powerful tool for clinical diagnosis, as they have the potential to discover gene expression patterns that are characteristic for...
Bing Liu, Qinghua Cui, Tianzi Jiang, Songde Ma