TY - JOUR A1 - Andrae, Dirk A1 - Barth, Ingo A1 - Bredtmann, Timm A1 - Hege, Hans-Christian A1 - Manz, Jörn A1 - Marquardt, Falko A1 - Paulus, Beate T1 - Electronic Quantum Fluxes During Pericyclic Reactions Exemplified for the Cope Rearrangement of Semibullvalene JF - J. Phys. Chem. B Y1 - 2011 U6 - https://doi.org/10.1021/jp110365g VL - 115 IS - 18 SP - 5476 EP - 5483 ER - TY - GEN A1 - Bredtmann, Timm A1 - Marquardt, Falko A1 - Andrae, Dirk A1 - Barth, Ingo A1 - Hege, Hans-Christian A1 - Hoki, Kunihito A1 - Kenfack, Anatole A1 - Kono, Hirohiko A1 - Manz, Jörn A1 - Paulus, Beate T1 - Electronic and Nuclear Fluxes during Pericyclic Reactions: Quantum Simulations for the Cope Rearrangement of Semibullvalene Y1 - 2010 N1 - Abstract and Poster PB - International Symposium on Theoretical and Computational Chemistry, 28 Feb – 2 March, 2010, Max-Planck-Institut für Kohlenforschung, Mülheim an der Ruhr, Germany ER - TY - GEN A1 - Bredtmann, Timm A1 - Marquardt, Falko A1 - Andrae, Dirk A1 - Barth, Ingo A1 - Hege, Hans-Christian A1 - Manz, Jörn A1 - Paulus, Beate T1 - Electronic and Nuclear Fluxes During Pericyclic Reactions: Quantum Simulations for the Cope Rearrangement of Semibullvalene Y1 - 2010 N1 - Abstract and Poster PB - CSTC 2010 - 17th Canadian Symposium on Theoretical Chemistry, July 25-30, 2010, Edmonton, Alberta, Canada ER -