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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… 
2012
2012
E-science approaches in molecular science
Computer simulations of the properties of processes and materials are becoming increasingly necessary in several technological… 
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
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… 
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… 
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… 
2004
2004
Incorporation of middleware and grid technologies to enhance usability in Computational Chemistry applications
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