@article{HegeKoppitzMarquardtetal.2011, author = {Hege, Hans-Christian and Koppitz, Michael and Marquardt, Falko and McDonald, Chris and Mielack, Christopher}, title = {Visual Analysis of Quantum Physics Data}, series = {Quantum Dynamic Imaging}, journal = {Quantum Dynamic Imaging}, publisher = {Springer}, doi = {10.1007/978-1-4419-9491-2_6}, pages = {71 -- 87}, year = {2011}, language = {en} } @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} } @article{HegeManzMarquardtetal.2010, author = {Hege, Hans-Christian and Manz, J{\"o}rn and Marquardt, Falko and Paulus, Beate and Schild, Axel}, title = {Electron Flux during Pericyclic Reactions in the Tunneling Limit: Quantum Simulation for Cyclooctatetraene}, series = {Chem. Phys}, volume = {376}, journal = {Chem. Phys}, number = {1-3}, doi = {10.1016/j.chemphys.2010.07.033}, pages = {46 -- 55}, year = {2010}, 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} } @article{BarthHegeIkedaetal.2009, author = {Barth, Ingo and Hege, Hans-Christian and Ikeda, Hiroshi and Kenfack, Anatole and Koppitz, Michael and Manz, J{\"o}rn and Marquardt, Falko and K. Paramonov, Guennaddi}, title = {Concerted Quantum Effects of Electronic and Nuclear Fluxes in Molecules}, series = {Chem. Phys. Lett.}, volume = {481}, journal = {Chem. Phys. Lett.}, number = {1-3}, publisher = {Elsevier}, doi = {10.1016/j.cplett.2009.09.011}, pages = {118 -- 123}, year = {2009}, language = {en} } @article{KenfackMarquardtKParamonovetal.2010, author = {Kenfack, Anatole and Marquardt, Falko and K. Paramonov, Gennadij and Barth, Ingo and Lasser, Caroline and Paulus, Beate}, title = {Initial-state dependence of coupled electronic and nuclear fluxes in molecules}, series = {Phys. Rev. A}, volume = {81}, journal = {Phys. Rev. A}, number = {5}, publisher = {American Physical Society}, doi = {10.1103/PhysRevA.81.052502}, pages = {052502}, year = {2010}, language = {en} }