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Volumn 4, Issue 32, 2014, Pages 16503-16511

Force field for ZIF-8 flexible frameworks: Atomistic simulation of adsorption, diffusion of pure gases as CH4, H2, CO 2 and N2

(4) Wu, Xuanjun a Huang, Jin a Cai, Weiquan a Jaroniec, Mietek b

a WUHAN UNIVERSITY OF TECHNOLOGY (China)

b KENT STATE UNIVERSITY (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; ADSORPTION ISOTHERMS; AMBER; COMPUTER SIMULATION; DIFFUSION; ELECTROSTATICS; QUANTUM CHEMISTRY; VAN DER WAALS FORCES;

BOND LENGTHS AND ANGLES; CRYSTALLOGRAPHIC DATA; EQUILIBRIUM CONFIGURATION; FORCE FIELD PARAMETERS; GRAND CANONICAL MONTE CARLO SIMULATION; MEAN SQUARED DISPLACEMENT; PREFERENTIAL ADSORPTION; PROBABILITY DENSITY DISTRIBUTION;

CARBON DIOXIDE;

EID: 84897988364 PISSN: None EISSN: 20462069 Source Type: Journal
DOI: 10.1039/c4ra00664j Document Type: Article

Times cited : (80)

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