@article{AndraeBarthBredtmannetal.2011, author = {Andrae, Dirk and Barth, Ingo and Bredtmann, Timm and Hege, Hans-Christian and Manz, J{\"o}rn and Marquardt, Falko and Paulus, Beate}, title = {Electronic Quantum Fluxes During Pericyclic Reactions Exemplified for the Cope Rearrangement of Semibullvalene}, series = {J. Phys. Chem. B}, volume = {115}, journal = {J. Phys. Chem. B}, number = {18}, doi = {10.1021/jp110365g}, pages = {5476 -- 5483}, year = {2011}, language = {en} } @misc{BredtmannMarquardtAndraeetal.2010, author = {Bredtmann, Timm and Marquardt, Falko and Andrae, Dirk and Barth, Ingo and Hege, Hans-Christian and Hoki, Kunihito and Kenfack, Anatole and Kono, Hirohiko and Manz, J{\"o}rn and Paulus, Beate}, title = {Electronic and Nuclear Fluxes during Pericyclic Reactions: Quantum Simulations for the Cope Rearrangement of Semibullvalene}, publisher = {International Symposium on Theoretical and Computational Chemistry, 28 Feb - 2 March, 2010, Max-Planck-Institut f{\"u}r Kohlenforschung, M{\"u}lheim an der Ruhr, Germany}, year = {2010}, language = {en} } @misc{BredtmannMarquardtAndraeetal.2010, author = {Bredtmann, Timm and Marquardt, Falko and Andrae, Dirk and Barth, Ingo and Hege, Hans-Christian and Manz, J{\"o}rn and Paulus, Beate}, title = {Electronic and Nuclear Fluxes During Pericyclic Reactions: Quantum Simulations for the Cope Rearrangement of Semibullvalene}, publisher = {CSTC 2010 - 17th Canadian Symposium on Theoretical Chemistry, July 25-30, 2010, Edmonton, Alberta, Canada}, year = {2010}, language = {en} }