Computational Study of First-Row Transition Metals Supported on MOF NU-1000 for Catalytic Acceptorless Alcohol Dehydrogenation

Journal of Physical Chemistry C

Volumn 120, Issue 43, 2016, Pages 24697-24705

  Ortuño, Manuel A ^a   Bernales, Varinia ^a   Gagliardi, Laura ^a   Cramer, Christopher J ^a  

^a University of Minnesota   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATION THEORY; CRYSTALLINE MATERIALS; DEHYDROGENATION; DENSITY FUNCTIONAL THEORY; DESIGN FOR TESTABILITY; HYDROGEN PRODUCTION; HYDROGEN STORAGE; JAVA PROGRAMMING LANGUAGE; MESOPOROUS MATERIALS; METALS; ORGANOMETALLICS;

ALCOHOL DEHYDROGENATION; CATALYTIC SITES; CHEMICAL EQUATIONS; COMPUTATIONAL STUDIES; FIRST ROW TRANSITION METALS; METAL ORGANIC FRAMEWORK; PROTON TRANSFER PROCESS; SOLID SUPPORTS;

TRANSITION METALS;

EID: 84994424509     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/acs.jpcc.6b06381     Document Type: Article

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