21. Gasteiger Group
Computer-representation of chemical structures and reactions. Simulation of chemical reactions and synthesis design. Calculation of fundamental physicochemical effects. Methods for the discovery and optimization of lead structures. Simulation and analysis of spectra. (University of Erlangen-Nürnberg)
http://www2.chemie.uni-erlangen.de/index.html
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Rating: [0.00] Votes: [0] Hits: [295] | May 7, 2006 |
22. Aspuru-Guzik, Alan
Theoretical physical chemistry. In particular, interested in the electronic structure of atoms and molecules and in statistical mechanics.
http://alan.aspuru.com
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Rating: [0.00] Votes: [0] Hits: [292] | May 7, 2006 |
23. Ryzhkov, Andrew
Theoretical modeling of chemical systems and quantum chemical investigation of reaction mechanisms. Simulation of complex non-linear chemical reactions. Curriculum vitae an software.
http://redandr.tripod.com
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Rating: [0.00] Votes: [0] Hits: [266] | May 7, 2006 |
24. Molecular Docking Web
Protein-ligand Docking, structures, bioinformatics, computational chemistry, and drug design resources.
http://www.scripps.edu/mb/olson/people/gmm/
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Rating: [0.00] Votes: [0] Hits: [259] | May 7, 2006 |
25. CCC - The Center for Computational Chemistry
Led by Prof. Henry F. Schaefer III. Develops theoretical and computational methods for describing and understanding the movement and function of electrons in molecules and applies them problems of broad chemical interest (University of Georgia, Athens).
http://www.ccc.uga.edu/
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Rating: [0.00] Votes: [0] Hits: [257] | May 7, 2006 |
27. Molecular Simulation
Covers all aspects of research related to, or of importance to, molecular modelling and simulation (including informatics, theoretical and experimental work).
http://www.tandf.co.uk/journals/titles/08927022.asp
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Rating: [0.00] Votes: [0] Hits: [245] | May 7, 2006 |
28. UKCP - United Kingdom Car-Parrinello Consortium
Association of research groups collaborating on the first-principles computer simulation of condensed matter. Provides the CASTEP code to academics in the UK. Organization, publications, calendar, jobs, and support.
http://www.cse.clrc.ac.uk/cmg/NETWORKS/UKCP/
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Rating: [0.00] Votes: [0] Hits: [241] | May 7, 2006 |
29. Rubio Group
Density functional theory: DFT and TDDFT, nanotubes, clusters, biological molecules (photoreceptors), electronic structure calculation, molecular dynamics, phonons and Raman spectra as well as transport in molecular devices.
http://dipc.ehu.es/arubio/index.php
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Rating: [0.00] Votes: [0] Hits: [233] | May 7, 2006 |
30. Journal of Chemical Information and Modeling (JCIM)
Covers topics such as database search systems, use of graph theory in chemical problems, substructure search systems, pattern recognition and clustering, analysis of chemical and physical data, molecular modeling, graphics and natural language interfaces, bibliometric and citation analysis, and synthesis design and reaction databases.
http://pubs.acs.org/journals/jcisd8/
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Rating: [0.00] Votes: [0] Hits: [224] | May 7, 2006 |
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