Computational studies of adsorption in metal organic frameworks and interaction of nanoparticles in condensed phases

Molecular Simulation

Volumn 40, Issue 7-9, 2014, Pages 571-584

  Annapureddy, Harsha V R ^a   Motkuri, Radha K ^a   Nguyen, Phuong T M ^a   Truong, Tai B ^a   Thallapally, Praveen K ^a   McGrail, B Peter ^a   Dang, Liem X ^a  

^a PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

GCMC; MD; nanoparticles; potentials of mean force MD

Indexed keywords

ADSORPTION; CRYSTALLINE MATERIALS; HEXANE; INTELLIGENT SYSTEMS; MENDELEVIUM; MOLECULAR DYNAMICS; MONTE CARLO METHODS; NANOPARTICLES; ORGANIC POLYMERS; ORGANOMETALLICS; POROUS MATERIALS;

ADSORPTION PROPERTIES; COMPUTATIONAL STUDIES; EFFECTS OF TEMPERATURE; GCMC; GRAND CANONICAL MONTE CARLO SIMULATION; METAL ORGANIC FRAMEWORK; NANO-PARTICLE DISPERSIONS; POTENTIALS OF MEAN FORCES;

METAL NANOPARTICLES;

EID: 84893973176     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927022.2013.829224     Document Type: Article

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