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Quantum chemistry / Molecular modelling / Chemical bonding / Distributed multipole analysis / Molecule / Molecular dynamics / Chemical bond / Crystal / Adsorption / Chemistry / Computational chemistry / Intermolecular forces


Document Date: 2012-11-13 10:16:48


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Wales / /

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Potential energy surfaces / intermolecular potential energy surface / nearest potential energy minimum / methyl / chemical bonds / larger systems / energy / extra site / /

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Unix / /

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David J / Matthew P. Hodges / Ola Engkvist / Elena Fraschini / Andrew Meredith / Anthony J. Stone / Paul L. A. Popelier / Andreas Dullweber / /

Technology

Unix / dielectric / /

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