Results 1 to 10 of 23, sorted by name.
Michal Chodkiewicz (Chemistry, Middle Tennessee State University, USA) General scientific interests: charge density, computer graphics, computing, molecular modelling, statistics. Detailed scientific research interests: computational chemistry,, density distribution,, density functional theory,, programming. | ||||
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![]() | Mylswami Sethuram (Chemistry, VSB Engineering College, India) General scientific interests: coordination chemistry, crystal growth, powder diffraction, structural chemistry. Detailed scientific research interests: ab-initio calculations, amino-acid coordination compounds, crystal growth, density functional theory. | |||
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![]() | Durgesh Singh Sisodiya (Physics , Bhabha Atomic Research Centre, India) General scientific interests: crystal engineering, crystal growth, defects, imaging, materials science. Detailed scientific research interests: density functional theory., luminescence., optical ceramics., Single crystal growth of scintillating materials and characterizations.. | |||
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Karlheinz Schwarz (Institut für Materialchemie, Technische Universität Wien, Austria) General scientific interests: alloys, catalysis, charge density, computer graphics, computing. Detailed scientific research interests: band structure calculation, carbides, cohesive energy, condensed matter, density distribution, DFT (density functional theory), electron densities, molecular dynamics, nitrides, oxides, quantum mechanics, spin densities, transition metal compounds, WIEN2k code (co-author). | ||||
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![]() | Vladimir Tsirelson (Quantum Chemistry, Mendeleev University of Chemical Technology of Russia, Russian Federation) General scientific interests: charge density, chemical crystallography, crystal chemistry, electron diffraction, X-ray diffraction. Detailed scientific research interests: accurate X-ray crystallography, chemical bonding, density functional theory, physical properties of crystals, quantum chemistry, quantum crystallography. | |||
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Razvan Caracas (Laboratoire de Geologie de Lyon CNRS UMR 5276, Ecole Normale Superieure de Lyon, France) General scientific interests: charge density, computing, crystal chemistry, databases, ferroelectrics. Detailed scientific research interests: computational physics, crystal physics, density functional theory, density-functional perturbation theory, electronic band structure, ferroelectrics, ferroic materials, high-pressure physics, incommensurate structures, interatomic potentials, metallic glasses, minerals, model hamiltonians, molecular crystals, numerical methods, phase transitions, phonons, spectroscopy. | ||||
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![]() | Konstantin G. Popov (Department of Theoretical and Computational Physics, Syktyvkar State University, Russian Federation) General scientific interests: clusters, computing, disorder, molecular modelling, teaching and education. Detailed scientific research interests: ab-initio calculations of atoms, molecules and clusters, density functional theory, gel structure, mercury measurements in environment and geology, photon correlation spectroscopy . | |||
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![]() | Cécile Hébert (Centre Interdisciplinaire de Microscopie Eéectronique, EPFL, Switzerland) General scientific interests: electron diffraction, electron microscopy, imaging, instrumentation, materials science. Detailed scientific research interests: chemical analysis in the TEM, Density Functional Theory, dislocation analysis, EDX, Electron Energy Loss Spectrometry, microstructure characterisation, tomography, Transmission Electron Microscopy. | |||
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Pinar Tunay TasliTürkiye, (Art and Science Faculty, Physics Department, Pamukkale University, Turkey) General scientific interests: computing, drug design, molecular modelling, NMR, X-ray diffraction. Detailed scientific research interests: chemical calculations (Gaussian, DFT,..). | ||||
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Frédéric Bouyer (EDF - Site des Renardières, Chimie Corrosion - EMA5, Route de Sens, BP 1, Moret-sur-Loing, France) Detailed scientific research interests: ab initio calculations, corrosion modelling, DFT. | ||||
Search for papers by Bouyer, F. in Crystallography Journals Online | Google Scholar | Pubmed |