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403 Publikationen

2020 | Zeitschriftenaufsatz | E-Veröff. vor dem Druck | PUB-ID: 2940375
Weike, Thomas, and Manthe, Uwe. “The multi-configurational time-dependent Hartree approach in optimized second quantization: Imaginary time propagation and particle number conservation.”. The Journal of chemical physics 152.3 (2020): 34101.
PUB | DOI | WoS | PubMed | Europe PMC
 
2019 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2934058
Lenzen, Tim, and Manthe, Uwe. “Vibronically and spin-orbit coupled diabatic potentials for X(P) + CH4 HX + CH3 reactions: General theory and application for X(P) = F(2P).”. The Journal of chemical physics 150.6 (2019): 64102.
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2019 | Zeitschriftenaufsatz | E-Veröff. vor dem Druck | PUB-ID: 2939038
Williams, David, Viel, Alexandra, and Eisfeld, Wolfgang. “Diabatic neural network potentials for accurate vibronic quantum dynamics-The test case of planar NO3.”. The Journal of chemical physics 151.16 (2019): 164118.
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2019 | Zeitschriftenaufsatz | E-Veröff. vor dem Druck | PUB-ID: 2937580
Schäpers, Daniela, and Manthe, Uwe. “Vibronic coupling in the F·CH4 prereactive complex.”. The Journal of chemical physics 151.10 (2019): 104106.
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2019 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2936491
Lenzen, Tim, Eisfeld, Wolfgang, and Manthe, Uwe. “Vibronically and spin-orbit coupled diabatic potentials for X(2P) + CH4 HX + CH3 reactions: Neural network potentials for X = Cl.”. The Journal of chemical physics 150.24 (2019): 244115.
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2019 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2936342
Schlimm, Alexander, Loew, Roland, Rusch, Talina, Roehricht, Fynn, Strunskus, Thomas, Tellkamp, Tobias, Soennichsen, Frank, Manthe, Uwe, Magnussen, Olaf, Tuczek, Felix, and Herges, Rainer. “Long-Distance Rate Acceleration by Bulk Gold”. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 58.20 (2019): 6574-6578.
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2019 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2935644
Zhao, Bin, and Manthe, Uwe. “Counter-propagating wave packets in the quantum transition state approach to reactive scattering.”. The Journal of chemical physics 150.18 (2019): 184103.
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2019 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2934997
Schoeller, Wolfgang. “The Niecke Biradicals and Their Congeners - The Journey from Stable Biradicaloids to Their Utilization for the Design of Nonlinear Optical Properties”. EUROPEAN JOURNAL OF INORGANIC CHEMISTRY 2019.11-12 (2019): 1495-1506.
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2018 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2921234
Ellerbrock, Roman, and Manthe, Uwe. “Full-dimensional quantum dynamics calculations for H+CHD3 -> H-2 + CD3: The effect of multiple vibrational excitations”. JOURNAL OF CHEMICAL PHYSICS 148.22 (2018): 224303.
PUB | DOI | WoS | PubMed | Europe PMC
 
2018 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2917286
Pieper, Julia, Schmitt, Steffen, Hemken, Christian, Davies, Emma, Wullenkord, Julia, Brockhinke, Andreas, Krüger, Julia, Garcia, Gustavo A., Nahon, Laurent, Lucassen, Arnas, Eisfeld, Wolfgang, and Kohse-Höinghaus, Katharina. “Isomer identification in flames with double-imaging photoelectron/photoion coincidence spectroscopy (i²PEPICO) using measured and calculated reference photoelectron spectra”. Zeitschrift für Physikalische Chemie 232.2 (2018): 153–187.
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