Crystal structure, stability and spectroscopic properties of methane and CO2 hydrates

Journal of Molecular Graphics and Modelling

Volumn 44, Issue , 2013, Pages 253-265

  Martos Villa, Ruben ^a   Francisco Márquez, Misaela ^b   Mata, M Pilar ^c   Sainz Díaz, C Ignacio ^d  

^a UNIVERSITY OF CÁDIZ   (Spain)

^b INSTITUTO POLITÉCNICO NACIONAL   (Mexico)

^c INSTITUTO GEOLÓGICO Y MINERO DE ESPAÑA   (Spain)

^d INSTITUTO ANDALUZ DE CIENCIAS DE LA TIERRA   (Spain)

Author keywords

Clathrates; CO2 hydrates; Methane hydrate; Molecular dynamics

Indexed keywords

BINDING ENERGY; CARBON DIOXIDE; CHEMICAL STABILITY; CLIMATE CHANGE; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ENERGY RESOURCES; HARTREE APPROXIMATION; HYDRATION; METHANE; MOLECULAR DYNAMICS; QUANTUM THEORY; STABILITY; STRUCTURAL PROPERTIES;

CHEMICAL-PHYSICAL PROPERTIES; CLATHRATES; CO2 HYDRATES; CRYSTALLOGRAPHIC PROPERTIES; GLOBAL CLIMATE CHANGES; METHANE HYDRATES; PHYSICAL CHEMICAL PROPERTY; QUANTUM MECHANICAL METHOD;

GAS HYDRATES;

CARBON DIOXIDE; HYDROGEN; METHANE; NATURAL GAS;

ARTICLE; CHEMICAL STRUCTURE; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ENCAPSULATION; ENERGY RESOURCE; GEOMETRY; HYDROGEN BOND; MOLECULAR DYNAMICS; NEUTRON DIFFRACTION; PHYSICAL CHEMISTRY; PRIORITY JOURNAL; QUANTUM MECHANICS; VIBRATION; WATER STRUCTURE; X RAY DIFFRACTION;

CLATHRATES; CO(2) HYDRATES; METHANE HYDRATE; MOLECULAR-DYNAMICS;

CARBON DIOXIDE; GASES; METHANE; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR DYNAMICS SIMULATION; SPECTRUM ANALYSIS; WATER;

EID: 84880858523     PISSN: 10933263     EISSN: 18734243     Source Type: Journal    
DOI: 10.1016/j.jmgm.2013.06.006     Document Type: Article

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