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Hege, Hans-Christian, Manz, Jörn, Marquardt, Falko, Paulus, Beate, Schild, Axel (2010) Electron flux during pericyclic reactions in the tunneling limit: Quantum simulation for cyclooctatetraene. Chemical Physics, 376. 46-55 doi:10.1016/j.chemphys.2010.07.033

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Reference TypeJournal (article/letter/editorial)
TitleElectron flux during pericyclic reactions in the tunneling limit: Quantum simulation for cyclooctatetraene
JournalChemical Physics
AuthorsHege, Hans-ChristianAuthor
Manz, JörnAuthor
Marquardt, FalkoAuthor
Paulus, BeateAuthor
Schild, AxelAuthor
Year2010 (November)Volume376
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2010.07.033Search in ResearchGate
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Mindat Ref. ID5962485Long-form Identifiermindat:1:5:5962485:7
GUID0
Full ReferenceHege, Hans-Christian, Manz, Jörn, Marquardt, Falko, Paulus, Beate, Schild, Axel (2010) Electron flux during pericyclic reactions in the tunneling limit: Quantum simulation for cyclooctatetraene. Chemical Physics, 376. 46-55 doi:10.1016/j.chemphys.2010.07.033
Plain TextHege, Hans-Christian, Manz, Jörn, Marquardt, Falko, Paulus, Beate, Schild, Axel (2010) Electron flux during pericyclic reactions in the tunneling limit: Quantum simulation for cyclooctatetraene. Chemical Physics, 376. 46-55 doi:10.1016/j.chemphys.2010.07.033
In(n.d.) Chemical Physics Vol. 376. Elsevier BV

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Andrae, Dirk, Barth, Ingo, Bredtmann, Timm, Hege, Hans-Christian, Manz, Jörn, Marquardt, Falko, Paulus, Beate (2011) Electronic Quantum Fluxes during Pericyclic Reactions Exemplified for the Cope Rearrangement of Semibullvalene. The Journal of Physical Chemistry B, 115 (18). 5476-5483 doi:10.1021/jp110365g
Barth, Ingo, Hege, Hans-Christian, Ikeda, Hiroshi, Kenfack, Anatole, Koppitz, Michael, Manz, Jörn, Marquardt, Falko, Paramonov, Guennaddi K. (2009) Concerted quantum effects of electronic and nuclear fluxes in molecules. Chemical Physics Letters, 481. 118-123 doi:10.1016/j.cplett.2009.09.011
Manz, Jörn, Schild, Axel, Schmidt, Burkhard, Yang, Yonggang (2014) Maximum tunneling velocities in symmetric double well potentials. Chemical Physics, 442. 9-17 doi:10.1016/j.chemphys.2014.04.004
Hermann, Gunter, Pohl, Vincent, Tremblay, Jean Christophe, Paulus, Beate, Hege, Hans-Christian, Schild, Axel (2016) ORBKIT: A modular python toolbox for cross-platform postprocessing of quantum chemical wavefunction data. Journal of Computational Chemistry, 37 (16). 1511-1520 doi:10.1002/jcc.24358
Jia, Dongming, Manz, Jörn, Paulus, Beate, Pohl, Vincent, Tremblay, Jean Christophe, Yang, Yonggang (2017) Quantum control of electronic fluxes during adiabatic attosecond charge migration in degenerate superposition states of benzene. Chemical Physics, 482. 146-159 doi:10.1016/j.chemphys.2016.09.021
Baum, Peter, Manz, Jörn, Schild, Axel (2010) Quantum model simulations of attosecond electron diffraction. Science China Physics, Mechanics and Astronomy, 53. 987-1004 doi:10.1007/s11433-010-4017-y
Schild, Axel, Paulus, Beate (2013) Multireference calculations for ring inversion and double bond shifting in cyclooctatetraene. Journal of Computational Chemistry, 34 (16). 1393-1397 doi:10.1002/jcc.23273
Grohmann, Thomas, Manz, Jörn, Schild, Axel (2013) Effects of molecular symmetry on the directions of nuclear flux densities during tunnelling in double well potentials. Molecular Physics, 111. 2251-2262 doi:10.1080/00268976.2013.800599
Hermann, Gunter, Liu, ChunMei, Manz, Jörn, Paulus, Beate, Pohl, Vincent, Tremblay, Jean Christophe (2017) Attosecond angular flux of partial charges on the carbon atoms of benzene in non-aromatic excited state. Chemical Physics Letters, 683. 553-558 doi:10.1016/j.cplett.2017.01.030
Manz, Jörn, Yamamoto, Kentaro (2012) A selection rule for the directions of electronic fluxes during unimolecular pericyclic reactions in the electronic ground state. Molecular Physics, 110. 517-530 doi:10.1080/00268976.2011.648666
Schild, Axel, Choudhary, Deepanshu, Sambre, Vaibhav D., Paulus, Beate (2012) Electron Density Dynamics in the Electronic Ground State: Motion Along the Kekulé Mode of Benzene. The Journal of Physical Chemistry A, 116 (46). 11355-11360 doi:10.1021/jp305735s
 
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