Open AccessComputational Study of First-Row Transition Metals Supported on MOF NU-1000 for Catalytic Acceptorless Alcohol Dehydrogenation
Author(s) -
Manuel Á. Ortuño,
Varinia Bernales,
Laura Gagliardi,
Christopher J. Cramer
Publication year - 2016
Publication title -
the journal of physical chemistry c
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.401
H-Index - 289
eISSN - 1932-7455
pISSN - 1932-7447
DOI - 10.1021/acs.jpcc.6b06381
Subject(s) - dehydrogenation , catalysis , transition metal , density functional theory , metal organic framework , mesoporous material , hydrogen storage , chemistry , transition state , combinatorial chemistry , alcohol , hydrogen , materials science , computational chemistry , organic chemistry , adsorption
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