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People - Related Categories
 Science: Chemistry: Chemists - 17 sites
Science: Chemistry: Computational: Research Groups - 45 sites
People - Web Sites
 Agrafiotis, Dimitris K.
Personal web site including references on computerassisted combinatorial chemistry, diversity analysis and structurebased drug design.
url: www.dimitris-agrafiotis.com/
Bayat, Hanif
PhD candidate in the area of theoretical chemical physics at University of Toronto. Includes previous and current academical projects and works.
url: www.chem.utoronto.ca/~hbayat/
Case, Fiona
Molecular modeling of surfactants and polymers with an industrial focus.
url: www.casescientific.com
Chihaia, Viorel
Atomic scale simulation through HartreeFock and density functional theories. Curriculum vitae, projects, publications, and software.
url: vchihaia.tripod.com
Constans, Pere
Molecular similarity theory, quantum chemistry, and numerical algorithms.
url: www.molspaces.com
Ercolessi, Furio
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.
url: www.fisica.uniud.it/~ercolessi/
Kosenkov, Dmytro
Conducts research on DNArelated quantum chemical calculations. Includes descriptions of his research, a list of publications, recent news, and notes from his teaching assignments.
url: www.ccmsi.us/kosenkov/
Liu, Peng
Studies transition metal catalyzed reactions and other topics. Includes his CV, photographs and a blog.
url: pengliu.bol.ucla.edu/
Naidoo, Kevin J.
Studies of macromolecular structure in condensed phases and in solution (University of Cape Town).
url: hydrogen.cem.uct.ac.za/compchem/
Nonella, Marco
Density functional and ab initio studies of biologically relevant chromophores.
url: homepage.mac.com/marcononella
Patchkovskii, Serguei
Theoretical and physical chemistry, semiempirical molecular orbital methods.
url: www.cobalt.chem.ucalgary.ca/ps/
Pyykkö, Pekka
Ab initio quantum chemistry with a particular focus on relativistic calculations; nuclear quadrupole moments.
url: www.chem.helsinki.fi/~pyykko/
Ryzhkov, Andrew
Theoretical modeling of chemical systems and quantum chemical investigation of reaction mechanisms. Simulation of complex nonlinear chemical reactions. Curriculum vitae an software.
url: redandr.tripod.com
Stone, Anthony
Adsorption on ionic crystal surfaces, the Orient program for calculating structures and properties of weaklybound systems, and the development of simple but accurate methods for describing intermolecular forces.
url: www-stone.ch.cam.ac.uk/
Zapalowski, Michal
Computer research of ionic solutions, radicals and biologically important molecules by classical and quantum mechanical modeling.
url: zapalowski.fotomis.com
Znamenskiy, Vasiliy S.
Molecular dynamics simulations of condensed phases, with an emphasis on ionic liquids.
url: userhome.brooklyn.cuny.edu/vznamenskiy/index.html
Znamenskiy, Vasily S
Postdoctoral researcher specializing in simulations and quantum mechanical calculations on ionic liquids. Includes CV, publication list, and figures from his research.
url: www.znamenskiy.com/
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