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407 Publikationen

2020 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2948944
Advances and New Challenges to Bimolecular Reaction Dynamics Theory
Li, Jun, Advances and New Challenges to Bimolecular Reaction Dynamics Theory. Journal of Physical Chemistry Letters 11 (20). , 2020
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2020 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2948747
Eight-Dimensional Wave Packet Dynamics Within the Quantum Transition-State Framework: State-to-State Reactive Scattering for H2 + CH3 ⇆ H + CH4
Zhao, Bin, Eight-Dimensional Wave Packet Dynamics Within the Quantum Transition-State Framework: State-to-State Reactive Scattering for H2 + CH3 ⇆ H + CH4. The journal of physical chemistry A 124 (45). , 2020
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2020 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2946755
Complete Nuclear Permutation Inversion Invariant Artificial Neural Network (CNPI-ANN) Diabatization for the Accurate Treatment of Vibronic Coupling Problems
Williams, David, Complete Nuclear Permutation Inversion Invariant Artificial Neural Network (CNPI-ANN) Diabatization for the Accurate Treatment of Vibronic Coupling Problems. Journal of Physical Chemistry A 124 (37). , 2020
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2020 | Zeitschriftenaufsatz | E-Veröff. vor dem Druck | PUB-ID: 2944315
Non-adiabatic transitions in the reaction of fluorine with methane.
Zhao, Bin, Non-adiabatic transitions in the reaction of fluorine with methane.. The Journal of chemical physics 152 (23). , 2020
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2020 | Zeitschriftenaufsatz | E-Veröff. vor dem Druck | PUB-ID: 2940375
The multi-configurational time-dependent Hartree approach in optimized second quantization: Imaginary time propagation and particle number conservation.
Weike, Thomas, 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
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2019 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2934058
Vibronically and spin-orbit coupled diabatic potentials for X(P) + CH4 HX + CH3 reactions: General theory and application for X(P) = F(2P).
Lenzen, Tim, 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
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2019 | Zeitschriftenaufsatz | E-Veröff. vor dem Druck | PUB-ID: 2939038
Diabatic neural network potentials for accurate vibronic quantum dynamics-The test case of planar NO3.
Williams, David, Diabatic neural network potentials for accurate vibronic quantum dynamics-The test case of planar NO3.. The Journal of chemical physics 151 (16). , 2019
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2019 | Zeitschriftenaufsatz | E-Veröff. vor dem Druck | PUB-ID: 2937580
Vibronic coupling in the F·CH4 prereactive complex.
Schäpers, Daniela, Vibronic coupling in the F·CH4 prereactive complex.. The Journal of chemical physics 151 (10). , 2019
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2019 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2936491
Vibronically and spin-orbit coupled diabatic potentials for X(2P) + CH4 HX + CH3 reactions: Neural network potentials for X = Cl.
Lenzen, Tim, 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
PUB | DOI | WoS | PubMed | Europe PMC
 
2019 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2936342
Long-Distance Rate Acceleration by Bulk Gold
Schlimm, Alexander, Long-Distance Rate Acceleration by Bulk Gold. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 58 (20). , 2019
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