Dynamics, transition states, and timing of bond formation in Diels-Alder reactions

Proceedings of the National Academy of Sciences of the United States of America

Volumn 109, Issue 32, 2012, Pages 12860-12865

  Black, Kersey ^a   Liu, Peng ^b   Xu, Lai ^b   Doubleday, Charles ^c   Houk, Kendall N ^b  

^a KECK GRADUATE INSTITUTE   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

^c Och Spine at New York Presbyterian Hospitals   (United States)

Author keywords

Concerted reaction; Cycloadditions; Density functional theory; Molecular dynamics; Transition state theory

Indexed keywords

RADICAL;

ARTICLE; CHEMICAL BINDING; CHEMICAL BOND; CONTROLLED STUDY; DIELS ALDER REACTION; PRIORITY JOURNAL; SIMULATION; STEREOSPECIFICITY; TEMPERATURE;

CARBON; HYDROCARBONS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR DYNAMICS SIMULATION; TEMPERATURE; TIME FACTORS;

ALNUS;

EID: 84864664141     PISSN: 00278424     EISSN: 10916490     Source Type: Journal    
DOI: 10.1073/pnas.1209316109     Document Type: Article

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