Investigating the gas sorption mechanism in an rht -metal-organic framework through computational studies

Journal of Physical Chemistry C

Volumn 118, Issue 1, 2014, Pages 439-456

  Pham, Tony ^a   Forrest, Katherine A ^a   Eckert, Juergen ^a   Georgiev, Peter A ^b,c   Mullen, Ashley ^a   Luebke, Ryan ^d   Cairns, Amy J ^d   Belmabkhout, Youssef ^d   Eubank, Jarrod F ^a   McLaughlin, Keith ^a   Lohstroh, Wiebke ^e   Eddaoudi, Mohamed ^a,d   Space, Brian ^a  

^a UNIVERSITY OF SOUTH FLORIDA   (United States)

^b UNIVERSITY OF MILAN   (Italy)

^c UNIVERSITY OF SOFIA   (Bulgaria)

^d KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Saudi Arabia)

^e TECHNICAL UNIVERSITY OF MUNICH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

AMINE FUNCTIONAL GROUPS; COMPUTATIONAL STUDIES; DIPOLE DISTRIBUTION; ELECTRONIC STRUCTURE CALCULATIONS; GRAND CANONICAL MONTE CARLO SIMULATION; ISOSTERIC HEATS OF ADSORPTIONS; METAL ORGANIC FRAMEWORK; POLARIZATION EFFECT;

ADSORPTION ISOTHERMS; COMPUTER SIMULATION; CRYSTALLINE MATERIALS; ELECTRONIC STRUCTURE; FUNCTIONAL GROUPS; HYDROGEN; IONS; JAVA PROGRAMMING LANGUAGE; SORPTION;

CARBON DIOXIDE;

EID: 84892575246     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp409950r     Document Type: Article

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