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DMOZ Internet Directory
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12 Sites
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Bayat, Hanif
- PhD candidate in the area of theoretical chemical physics at University of Toronto. Includes previous and current academical projects and works.
Pyykkö, Pekka
- Ab initio quantum chemistry with a particular focus on relativistic calculations; nuclear quadrupole moments.
Znamenskiy, Vasiliy S.
- Molecular dynamics simulations of condensed phases, with an emphasis on ionic liquids.
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.
Patchkovskii, Serguei
- Theoretical and physical chemistry, semiempirical molecular orbital methods.
Zapalowski, Michal
- Computer research of ionic solutions, radicals and biologically important molecules by classical and quantum mechanical modeling.
Case, Fiona
- Molecular modeling of surfactants and polymers with an industrial focus.
Constans, Pere
- Molecular similarity theory, quantum chemistry, and numerical algorithms.
Chihaia, Viorel
- Atomic scale simulation through Hartree-Fock and density functional theories. Curriculum vitae, projects, publications, and software.
Ercolessi, Furio
- 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.
Kosenkov, Dmytro
- Developing ab initio based quantum chemical and multiscale methods for simulations of chemical and biological processes. Includes descriptions of research, a list of publications, recent news, and notes from his teaching assignments.
Gupta, Vineet
- Research interests in computational chemistry and molecular modeling and their application to biological macromolecules. Includes research profile and publications.
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