Related categories: |
| » Top/Science/Chemistry/Chemists |
| » Top/Science/Chemistry/Computational/Research Groups |
| |
|
| Web Sites |
Agrafiotis, Dimitris K.
Personal web site including references on computer-assisted combinatorial chemistry, diversity analysis and structure-based drug design.
http://www.dimitris-agrafiotis.com/
|
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
|
Baer, Roi
Electronic structure of large systems; quantum molecular dynamics simulations.
http://www.fh.huji.ac.il/~roib/
|
Bayat, Hanif
PhD candidate in the area of theoretical chemical physics at University of Toronto. Includes previous and current academical projects and works.
http://www.chem.utoronto.ca/%7ehbayat/
|
Case, Fiona
Molecular modeling of surfactants and polymers with an industrial focus.
http://www.casescientific.com
|
Chihaia, Viorel
Atomic scale simulation through Hartree-Fock and density functional theories. Curriculum vitae, projects, publications, and software.
http://vchihaia.tripod.com
|
Constans, Pere
Molecular similarity theory, quantum chemistry, and numerical algorithms.
http://www.molspaces.com
|
McCoy, Anne B.
Theoretical studies of weakly bound clusters and of reaction dynamics in clusters and in solution.
http://www.chemistry.ohio-state.edu/~mccoy/home/mccoy-home.html
|
Naidoo, Kevin J.
Studies of macromolecular structure in condensed phases and in solution (University of Cape Town).
http://hydrogen.cem.uct.ac.za/compchem/
|
Nonella, Marco
Density functional and ab initio studies of biologically relevant chromophores.
http://homepage.mac.com/marcononella
|
Patchkovskii, Serguei
Theoretical and physical chemistry, semiempirical molecular orbital methods.
http://www.cobalt.chem.ucalgary.ca/ps/
|
Peng Liu
Theoretical Organic Chemistry. Theoretical study of transition metal catalyzed organic reactions.
http://www.uoguelph.ca/%7epliu/
|
Pyykkö, Pekka
Ab initio quantum chemistry with a particular focus on relativistic calculations; nuclear quadrupole moments.
http://www.chem.helsinki.fi/~pyykko/
|
Rohs, Remo
Monte Carlo simulations of proteins and nucleic acids; ligand binding to nucleic acids.
http://www.remo-rohs.de/E-Start/e-start.html
|
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
|
Stone, Anthony
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.
http://www-stone.ch.cam.ac.uk/
|
Zapalowski, Michal
Computer research of ionic solutions, radicals and biologically important molecules by classical and quantum mechanical modeling.
http://zapalowski.fotomis.com
|
Znamenskiy, Vasiliy S.
Molecular dynamics simulations of condensed phases, with an emphasis on ionic liquids.
http://userhome.brooklyn.cuny.edu/vznamenskiy/index.html
|
