Determination of active sites based on unified analysis of potential energy profile in chemical reaction: Application to C-H activation of methane by Ti(IV)-imido complex

Chemical Physics Letters

Volumn 460, Issue 1-3, 2008, Pages 347-351

  Nakai, Hiromi ^a   Suzuki, Jun ^a   Kikuchi, Yasuaki ^a  

^a WASEDA UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ANALYSIS; ADDITION REACTIONS; CHEMICAL ACTIVATION; CHEMICAL REACTIONS; GRAFTING (CHEMICAL); METHANE; POTENTIAL ENERGY; REACTION KINETICS; SYNTHESIS (CHEMICAL); TITANIUM COMPOUNDS;

ACTIVE SITES; APPLIED (CO); C H ACTIVATION; ELSEVIER (CO); ENERGY DENSITY ANALYSIS (EDA); ENERGY DIFFERENCES; ENERGY PROFILING; NUMERICAL APPLICATIONS; POTENTIAL ENERGY PROFILES; TRANSITION STATE (TS); UNIFIED ANALYSIS;

ACTIVATION ENERGY;

EID: 46849104522     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2008.05.081     Document Type: Article

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