Computational Prediction of Excited-State Carbon Tunneling in the Two Steps of Triplet Zimmerman Di-π-Methane Rearrangement

Journal of the American Chemical Society

Volumn 139, Issue 46, 2017, Pages 16438-16441

  Li, Xin ^a   Liao, Tao ^a   Chung, Lung Wa ^a  

^a SOUTHERN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ARRHENIUS PLOTS; COMPUTATION THEORY; ELECTRONIC STATES; METHANE; QUANTUM THEORY; RATE CONSTANTS; REACTION INTERMEDIATES; REACTION RATES; TEMPERATURE;

COMPUTATIONAL PREDICTIONS; CYCLOPROPANE DERIVATIVE; ELECTRONICALLY EXCITED STATE; KINETIC ISOTOPE EFFECTS; PHOTOINDUCED REACTION; QUANTUM MECHANICAL METHOD; REACTIVE INTERMEDIATE; VARIATIONAL TRANSITION STATE THEORY;

EXCITED STATES;

CARBON; CYCLOPROPANE DERIVATIVE; ISOTOPE; METHANE;

ARTICLE; CHEMICAL REACTION; ENERGY TRANSFER; HIGH TEMPERATURE; LOW TEMPERATURE; SURFACE PROPERTY;

EID: 85034846587     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/jacs.7b07539     Document Type: Article

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