Directory: Top/Science/Chemistry/Computational/People

Top / Science / Chemistry / Computational / People /

Pyykkö, Pekka
Ab initio quantum chemistry with a particular focus on relativistic calculations; nuclear quadrupole moments.
http://www.chem.helsinki.fi/~pyykko/
Helsinki.fi ~ Site Info Whois Trace Route RBL Check

Znamenskiy, Vasiliy S.
Molecular dynamics simulations of condensed phases, with an emphasis on ionic liquids.
http://userhome.brooklyn.cuny.edu/vznamenskiy/index.html
Cuny.edu ~ Site Info Whois Trace Route RBL Check

Nonella, Marco
Density functional and ab initio studies of biologically relevant chromophores.
http://homepage.mac.com/marcononella
Mac.com ~ Site Info Whois Trace Route RBL Check

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/
Cam.ac.uk ~ Site Info Whois Trace Route RBL Check

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/
Dimitris-agrafiotis.com ~ Site Info Whois Trace Route RBL Check

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
Tripod.com ~ Site Info Whois Trace Route RBL Check

Patchkovskii, Serguei
Theoretical and physical chemistry, semiempirical molecular orbital methods.
http://www.cobalt.chem.ucalgary.ca/ps/
Ucalgary.ca ~ Site Info Whois Trace Route RBL Check

Zapalowski, Michal
Computer research of ionic solutions, radicals and biologically important molecules by classical and quantum mechanical modeling.
http://zapalowski.fotomis.com
Fotomis.com ~ Site Info Whois Trace Route RBL Check

Case, Fiona
Molecular modeling of surfactants and polymers with an industrial focus.
http://www.casescientific.com
Casescientific.com ~ Site Info Whois Trace Route RBL Check

Constans, Pere
Molecular similarity theory, quantum chemistry, and numerical algorithms.
http://www.molspaces.com
Molspaces.com ~ Site Info Whois Trace Route RBL Check