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LINKS: | - 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.
http://www2.chemie.uni-erlangen.de/index.html
(Added: Thu Jan 01 2004 Hits: 0 Rating: 0.00 Votes: 0)
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Review It - 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
(Added: Thu Jan 01 2004 Hits: 0 Rating: 0.00 Votes: 0)
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Review It - Stone, Anthony
Adsorption on ionic crystal surfaces2, the Orient program for calculating structures and properties of weakly-bound systems, and the development of simple but accurate methods for describing intermolecular forces.
http://www-stone.ch.cam.ac.uk/
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Review It - Taton Group
Nanobiotechnology: hybrid materials from nanoscale objects and biomolecules. Nanotube composites: aligning soft mesophases with hard nanostructures. Novel bioanalytical methods using nanoparticle-based materials.
http://www.chem.umn.edu/groups/taton/
(Added: Thu Jan 01 2004 Hits: 0 Rating: 0.00 Votes: 0)
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