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

From National Research Council Canada

DOIResolve DOI: http://doi.org/10.1063/1.4940321
AuthorSearch for: ; Search for: ; Search for: 1 
Name affiliation
  1. National Research Council Canada. Security and Disruptive Technologies
TypeArticle
Journal titleJournal of Chemical Physics
ISSN0021-9606
Volume144
Issue4
Article number44501
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
Abstract
Publication date
PublisherAIP Publishing
LanguageEnglish
Peer reviewedYes
NPARC number21277499
Export citationExport as RIS
Report a correctionReport a correction
Record identifierf4028a6a-2b40-4d77-b774-1d0e8e181acb
Record created2016-03-09
Record modified2017-03-23
Date modified: