Linking microscopic guest properties to macroscopic observables in clathrate hydrates: Guest-host hydrogen bonding

Journal of Chemical Physics

Volumn 130, Issue 17, 2009, Pages

  Alavi, Saman ^a   Susilo, Robin ^a   Ripmeester, John A ^a  

^a NATIONAL RESEARCH COUNCIL CANADA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION BARRIERS; ADJACENT SITES; BJERRUM DEFECTS; CLATHRATE HYDRATES; COVALENTLY BONDED; DEFECT FORMATIONS; DIOXOLANE; DIPOLE-DIPOLE CORRELATIONS; GUEST HOSTS; HYDROGEN ATOMS; HYDROGEN BONDINGS; ICE LATTICES; ISOTHERMAL COMPRESSIBILITIES; MACROSCOPIC PROPERTIES; MICROSCOPIC STRUCTURES; MOLECULAR DYNAMICS SIMULATIONS; OXYGEN ATOMS; ROTATIONAL DYNAMICS; SIMULATION TEMPERATURES; STRUCTURAL PARAMETERS; TETRAHYDROFURAN; TETRAHYDROPYRAN; THERMAL EXPANSIVITIES; TIME-SCALE; VAN'T HOFF PLOTS; WATER LATTICES; WATER MOLECULES;

ATOMS; BINDING SITES; DEFECTS; DYNAMICS; ETHERS; HYDRATES; HYDRATION; HYDROGEN; MECHANICAL STABILITY; MOLECULAR DYNAMICS; OXYGEN;

HYDROGEN BONDS;

EID: 65549089160     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3124187     Document Type: Article

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