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 DIRECTORY/Science/Tech/Chemistry/Computational/People (16)
i0Agrafiotis, Dimitris K. - http://www.dimitris-agrafiotis.com/ - Personal web site including references on computer-assisted combinatorial chemistry, diversity analysis and structure-based drug design.
 
i0Bayat, Hanif - http://www.chem.utoronto.ca/~hbayat/ - PhD candidate in the area of theoretical chemical physics at University of Toronto. Includes previous and current academical projects and works.
 
i0Case, Fiona - http://www.casescientific.com - Molecular modeling of surfactants and polymers with an industrial focus.
 
i0Chihaia, Viorel - http://vchihaia.tripod.com - Atomic scale simulation through Hartree-Fock and density functional theories. Curriculum vitae, projects, publications, and software.
 
i0Constans, Pere - http://www.molspaces.com - Molecular similarity theory, quantum chemistry, and numerical algorithms.
 
i0Ercolessi, Furio - http://www.fisica.uniud.it/~ercolessi/ - Includes a primer on molecular dynamics simulations, course material (in Italian), information on the MDBNCH benchmark for molecular dynamics codes, and links to related materials.
 
i0Kosenkov, Dmytro - http://www.ccmsi.us/kosenkov/ - Conducts research on DNA-related quantum chemical calculations. Includes descriptions of his research, a list of publications, recent news, and notes from his teaching assignments.
 
i0Liu, Peng - http://pengliu.bol.ucla.edu/ - Studies transition metal catalyzed reactions and other topics. Includes his CV, photographs and a blog.
 
i0Nonella, Marco - http://homepage.mac.com/marcononella - Density functional and ab initio studies of biologically relevant chromophores.
 
i0Patchkovskii, Serguei - http://www.cobalt.chem.ucalgary.ca/ps/ - Theoretical and physical chemistry, semiempirical molecular orbital methods.
 
i0Pyykkö, Pekka - http://www.chem.helsinki.fi/~pyykko/ - Ab initio quantum chemistry with a particular focus on relativistic calculations; nuclear quadrupole moments.
 
i0Ryzhkov, Andrew - http://redandr.tripod.com - Theoretical modeling of chemical systems and quantum chemical investigation of reaction mechanisms. Simulation of complex non-linear chemical reactions. Curriculum vitae an software.
 
i0Stone, Anthony - http://www-stone.ch.cam.ac.uk/ - Adsorption on ionic crystal surfaces, the Orient program for calculating structures and properties of weakly-bound systems, and the development of simple but accurate methods for describing intermolecular forces.
 
i0Zapalowski, Michal - http://zapalowski.fotomis.com - Computer research of ionic solutions, radicals and biologically important molecules by classical and quantum mechanical modeling.
 
i0Znamenskiy, Vasiliy S. - http://userhome.brooklyn.cuny.edu/vznamenskiy/index.html - Molecular dynamics simulations of condensed phases, with an emphasis on ionic liquids.
 
i0Znamenskiy, Vasily S - http://www.znamenskiy.com/ - Postdoctoral researcher specializing in simulations and quantum mechanical calculations on ionic liquids. Includes CV, publication list, and figures from his research.
 
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