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Autor:
Martin P. Koopmans, Bart Hollanders, Bastiaan van de Graaf, Adri C. T. van Duin, Jan W. de Leeuw, René J.A. Smits, Jaap S. Sinninghe Damsté, Jan M. A. Baas
Publikováno v:
Organic Geochemistry. 24:587-591
Application of molecular mechanics enabled calculation of the rotational barrier between the two atropisomers of 2,3,5′,6-tetramethyl-2′-(2-butyl)biphenyl. The calculated energy barrier, 149.4 kJ/mol, is in good agreement with the experimental va