Are spin-forbidden crossings a bottleneck in methanol oxidation?

Journal of Physical Chemistry C

Volumn 113, Issue 45, 2009, Pages 19361-19364

  Goodrow, Anthony ^a   Bell, Alexis T ^a   Head Gordon, Martin ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVE SITE; ENERGY SURFACE; H-ABSTRACTION; LANDAU-ZENER; METHANOL OXIDATION; NON-ADIABATIC; RATE LIMITING; SPIN TRANSITION; SUPPORTED ON SILICA; TIO; TRIPLET POTENTIAL;

CROSSINGS (PIPE AND CABLE); METHANOL; OXIDATION; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; SILICA; SPIN DYNAMICS; TITANIUM DIOXIDE; TITANIUM OXIDES;

SURFACE REACTIONS;

EID: 70449562748     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp906603r     Document Type: Article

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