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Category:  Science » Chemistry » Computational » People SUGGEST CATEGORY  |  SUBMIT A SITE

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Records 1-13 of 13
 



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Znamenskiy, Vasiliy S. (Popularity: )
http://userhome.brooklyn.cuny.edu/vznamenskiy/index.html
Molecular dynamics simulations of condensed phases, with an emphasis on ionic liquids.

Aspuru-Guzik, Alan (Popularity: )
http://alan.aspuru.com
Theoretical physical chemistry. In particular, interested in the electronic structure of atoms and molecules and in statistical mechanics.



Ryzhkov, Andrew (Popularity: )
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.

Agrafiotis, Dimitris K. (Popularity: )
http://www.dimitris-agrafiotis.com/
Personal web site including references on computer-assisted combinatorial chemistry, diversity analysis and structure-based drug design.



Chihaia, Viorel (Popularity: )
http://vchihaia.tripod.com
Atomic scale simulation through Hartree-Fock and density functional theories. Curriculum vitae, projects, publications, and software.

Baer, Roi (Popularity: )
http://www.fh.huji.ac.il/~roib/
Electronic structure of large systems; quantum molecular dynamics simulations.

Pyykkö, Pekka (Popularity: )
http://www.chem.helsinki.fi/~pyykko/
Ab initio quantum chemistry with a particular focus on relativistic calculations; nuclear quadrupole moments.

Stone, Anthony (Popularity: )
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.

Nonella, Marco (Popularity: )
http://homepage.mac.com/marcononella
Density functional and ab initio studies of biologically relevant chromophores.

Patchkovskii, Serguei (Popularity: )
http://www.cobalt.chem.ucalgary.ca/ps/
Theoretical and physical chemistry, semiempirical molecular orbital methods.

McCoy, Anne B. (Popularity: )
http://www.chemistry.ohio-state.edu/~mccoy/home/mccoy-home.html
Theoretical studies of weakly bound clusters and of reaction dynamics in clusters and in solution.

Constans, Pere (Popularity: )
http://www.molspaces.com
Molecular similarity theory, quantum chemistry, and numerical algorithms.

Zapalowski, Michal (Popularity: )
http://zapalowski.fotomis.com
Computer research of ionic solutions, radicals and biologically important molecules by classical and quantum mechanical modeling.

 
Records 1-13 of 13

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