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Pyykkö, Pekka - http://www.chem.helsinki.fi/~pyykko/
Ab initio quantum chemistry with a particular focus on relativistic calculations; nuclear quadrupole moments. |
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Case, Fiona - http://www.casescientific.com
Molecular modeling of surfactants and polymers with an industrial focus. |
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Constans, Pere - http://www.molspaces.com
Molecular similarity theory, quantum chemistry, and numerical algorithms. |
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Stone, Anthony - 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. |
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Agrafiotis, Dimitris K. - http://www.dimitris-agrafiotis.com/
Personal web site including references on computer-assisted combinatorial chemistry, diversity analysis and structure-based drug design. |
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Patchkovskii, Serguei - http://www.cobalt.chem.ucalgary.ca/ps/
Theoretical and physical chemistry, semiempirical molecular orbital methods. |
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Ryzhkov, Andrew - 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. |
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Znamenskiy, Vasiliy S. - http://userhome.brooklyn.cuny.edu/vznamenskiy/index.html
Molecular dynamics simulations of condensed phases, with an emphasis on ionic liquids. |
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Chihaia, Viorel - http://vchihaia.tripod.com
Atomic scale simulation through Hartree-Fock and density functional theories. Curriculum vitae, projects, publications, and software. |
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Zapalowski, Michal - http://zapalowski.fotomis.com
Computer research of ionic solutions, radicals and biologically important molecules by classical and quantum mechanical modeling. |
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Nonella, Marco - http://homepage.mac.com/marcononella
Density functional and ab initio studies of biologically relevant chromophores. |
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Bayat, Hanif - http://www.chem.utoronto.ca/~hbayat/
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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Znamenskiy, Vasily S - http://www.znamenskiy.com/
Postdoctoral researcher specializing in simulations and quantum mechanical calculations on ionic liquids. Includes CV, publication list, and figures from his research. |
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Liu, Peng - http://pengliu.bol.ucla.edu/
Studies transition metal catalyzed reactions and other topics. Includes his CV, photographs and a blog. |
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Kosenkov, Dmytro - http://www.ccmsi.us/kosenkov/
Conducts research on DNA-related quantum chemical calculations. Includes descriptions of his research, a list of publications, recent news, and notes from his teaching assignments. |