Molecular simulations and density functional theory calculations of bromine in clathrate hydrate phases

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  1. National Research Council of Canada. Security and Disruptive Technologies
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Subjectchemical bonds; chlorine; density functional theory; distribution functions; hydrates; hydration; iodine; molecular dynamics; molecules; quantum chemistry; van der Waals forces; X-ray diffraction; autocorrelation functions; electrostatic potentials; molecular dynamics simulations; non-bonding interactions; non-covalent interaction; quantum chemical calculations; radial distribution functions; X-ray diffraction studies; bromine
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NPARC number21277499
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Record identifierf4028a6a-2b40-4d77-b774-1d0e8e181acb
Record created2016-03-09
Record modified2020-03-16
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