See also:
Znamenskiy, Vasily S
znamenskiy.com
Postdoctoral researcher specializing in simulations and quantum mechanical calculations on ionic liquids. Includes CV, publication list, and figures from his research.
Nonella, Marco
homepage.mac.com
Density functional and ab initio studies of biologically relevant chromophores.
Naidoo, Kevin J.
hydrogen.cem.uct.ac.za
Studies of macromolecular structure in condensed phases and in solution (University of Cape Town).
Ercolessi, Furio
fisica.uniud.it
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.
Zagidullina, Aygul
aygul.nm.ru
Includes research interests (quantum chemical investigation of reaction mechanisms), publication list, curriculum vitae, personal details and contact information.
Stone, Anthony
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.
Chihaia, Viorel
vchihaia.tripod.com
Atomic scale simulation through Hartree-Fock and density functional theories. Curriculum vitae, projects, publications, and software.
Znamenskiy, Vasiliy S.
userhome.brooklyn.cuny.edu
Molecular dynamics simulations of condensed phases, with an emphasis on ionic liquids.
Agrafiotis, Dimitris K.
dimitris-agrafiotis.com
Personal web site including references on computer-assisted combinatorial chemistry, diversity analysis and structure-based drug design.
Case, Fiona
casescientific.com
Molecular modeling of surfactants and polymers with an industrial focus.
Richards, Graham
chem.ox.ac.uk
Research areas include computer-aided molecular design, enzyme inhibition, membrane simulation and molecular similarity (Oxford University).
Zapalowski, Michal
zapalowski.fotomis.com
Computer research of ionic solutions, radicals and biologically important molecules by classical and quantum mechanical modeling.
Sugny, Dominique
icb.u-bourgogne.fr
Research interests include geometry and topology in classical and quantum mechanics, control by laser fields of molecular processes, and structure of molecular dynamics.
Ryzhkov, Andrew
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.
Constans, Pere
molspaces.com
Molecular similarity theory, quantum chemistry, and numerical algorithms.
Pyykkö, Pekka
chem.helsinki.fi
Ab initio quantum chemistry with a particular focus on relativistic calculations; nuclear quadrupole moments.
Carta, Giorgio
cartagiorgio.com
Research includes the development and application of computational tools to assist the drug discovery process. Also lists publications.
Patchkovskii, Serguei
cobalt.chem.ucalgary.ca
Theoretical and physical chemistry, semiempirical molecular orbital methods.
Bayat, Hanif
chem.utoronto.ca
PhD candidate in the area of theoretical chemical physics at University of Toronto. Includes previous and current academical projects and works.
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