Methanol coupling in the zeolite chabazite studied via Car-Parrinello molecular dynamics

Molecular Physics

Volumn 102, Issue 3 PART II, 2004, Pages 281-288

  Lo, Cynthia ^a   Giurumescu, Claudiu A ^a   Radhakrishnan, Ravi ^a   Trout, Bernhardt L ^a  

^a Massachusetts Institute of Technology Cambridge   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; CHEMICAL INDUSTRY; COMPUTER SIMULATION; ELECTRONIC STRUCTURE; ETHERS; FREE RADICALS; MOLECULAR DYNAMICS; OLEFINS; PROBABILITY DISTRIBUTIONS; QUANTUM THEORY; REACTION KINETICS; SAMPLING; SUPERCOMPUTERS; ZEOLITES;

CAR PARRINELLO MOLECULAR DYNAMICS; METHANOL COUPLING; METHOXY GROUPS; ZEOLITE CHABAZITE;

METHANOL;

EID: 3042728351     PISSN: 00268976     EISSN: None     Source Type: Journal    
DOI: 10.1080/00268970410001703903     Document Type: Article

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