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Computational Chemistry Grid

Known as: CCG, GridChem 
The Computational Chemistry Grid project (CCG) is a National Science Foundation project in computational chemistry. The CCG is a virtual organization… 
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Computational chemistryNational Center for Supercomputing Applications

Papers overview

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2012
2012
GridChem and ParamChem: Science Gateways for Computational Chemistry (and More)
Presented at HUBBUB 2012, the HUBZero conference, 24-25 September 2012. Any opinions, findings, and conclusions or… 
Review
2011
Review
2011
MoSGrid: Progress of Workflow driven Chemical Simulations
Motivation: Web-based access to computational chemistry grid resources has proven to be a viable approach to simplify the use of… 
2010
2010
Distributed and Collaborative Learning Objects Repositories on Grid Networks
The paper deals with the design and a prototype implementation of a collaborative repository of scientific learning objects based… 
2010
2010
A new service reservation approach for workflow management
Many of large-scale scientific applications executed on present-day Grids, such as bioinformatics and computational chemistry… 
2009
2009
A method for solving the molecular Schrödinger equation in Cartesian coordinates via angular momentum projection operators
2008
2008
Theoretical study of the mechanism of thieno[3,2-b]benzofuran bromination
The bromination reaction of thieno(3,2-b)benzofuran was studied theoretically. Stationary points on the reaction potential energy… 
2008
2008
GridQTC: A Desktop Client for the Computational Chemistry Grid Infrastructure
The "Grupo de Quimica Teorica y Computacional de la Universitat de Valencia" (GQTC/UVEG) Computational Chemistry Grid is a… 
2007
2007
An alternative distribution model for the Molecular Dynamics study of liquid Propane on a grid platform
The density of liquid propane has been estimated using molecular dynamics calculations performed on the EGEE-Grid distributed… 
2005
2005
Cluster Computing through an Application-oriented Computational Chemistry Grid
Over the last 20 years, personal computers and networking infrastructures have greatly enhanced the working environment and… 
2004
2004
Incorporation of middleware and grid technologies to enhance usability in Computational Chemistry applications
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