Water proton configurations in structures I, II, and H clathrate hydrate unit cells

Journal of Chemical Physics

Volumn 138, Issue 12, 2013, Pages

  Takeuchi, Fumihito ^a   Hiratsuka, Masaki ^a   Ohmura, Ryo ^a   Alavi, Saman ^b   Sum, Amadeu K ^c   Yasuoka, Kenji ^a  

^a KEIO UNIVERSITY   (Japan)

^b UNIVERSITY OF OTTAWA   (Canada)

^c Department of Metallurgical and Materials Engineering   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CARTESIAN COORDINATE; CLATHRATE HYDRATE; COULOMB POTENTIAL; HYDROGEN ATOMS; MOLECULAR SIMULATIONS; POSITION AND ORIENTATIONS; POTENTIAL ENERGY CONFIGURATION; PROTON DISTRIBUTIONS;

ATOMS; CELLS; COULOMB BLOCKADE; CRYSTAL ATOMIC STRUCTURE; CYTOLOGY; DIPOLE MOMENT; ELECTRIC FIELDS; HYDRATION; OXYGEN; POTENTIAL ENERGY; PROTONS; X RAY DIFFRACTION ANALYSIS;

HYDRATES;

HYDROGEN; PROTON; WATER;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; MOLECULAR DYNAMICS; X RAY CRYSTALLOGRAPHY;

CRYSTALLOGRAPHY, X-RAY; HYDROGEN; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; MOLECULAR STRUCTURE; PROTONS; WATER;

EID: 84875783121     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4795499     Document Type: Article

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