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407 Publikationen
2020 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2948944
Advances and New Challenges to Bimolecular Reaction Dynamics Theory
Li J, Zhao B, Xie D, Guo H (2020)
Journal of Physical Chemistry Letters 11(20): 8844-8860.
PUB | DOI | WoS | PubMed | Europe PMC
Li J, Zhao B, Xie D, Guo H (2020)
Journal of Physical Chemistry Letters 11(20): 8844-8860.
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 B, Manthe U (2020)
The journal of physical chemistry A 124(45): 9400–9412.
PUB | DOI | WoS | PubMed | Europe PMC
Zhao B, Manthe U (2020)
The journal of physical chemistry A 124(45): 9400–9412.
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 D, Eisfeld W (2020)
Journal of Physical Chemistry A 124(37): 7608-7621.
PUB | DOI | WoS | PubMed | Europe PMC
Williams D, Eisfeld W (2020)
Journal of Physical Chemistry A 124(37): 7608-7621.
2020 | Zeitschriftenaufsatz | E-Veröff. vor dem Druck | PUB-ID: 2944315
Non-adiabatic transitions in the reaction of fluorine with methane.
Zhao B, Manthe U (2020)
The Journal of chemical physics 152(23).
PUB | DOI | WoS | PubMed | Europe PMC
Zhao B, Manthe U (2020)
The Journal of chemical physics 152(23).
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 T, Manthe U (2020)
The Journal of chemical physics 152(3): 34101.
PUB | DOI | WoS | PubMed | Europe PMC
Weike T, Manthe U (2020)
The Journal of chemical physics 152(3): 34101.
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 T, Manthe U (2019)
The Journal of chemical physics 150(6): 64102.
PUB | DOI | WoS | PubMed | Europe PMC
Lenzen T, Manthe U (2019)
The Journal of chemical physics 150(6): 64102.
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 D, Viel A, Eisfeld W (2019)
The Journal of chemical physics 151(16): 164118.
PUB | DOI | WoS | PubMed | Europe PMC
Williams D, Viel A, Eisfeld W (2019)
The Journal of chemical physics 151(16): 164118.
2019 | Zeitschriftenaufsatz | E-Veröff. vor dem Druck | PUB-ID: 2937580
Vibronic coupling in the F·CH4 prereactive complex.
Schäpers D, Manthe U (2019)
The Journal of chemical physics 151(10): 104106.
PUB | DOI | WoS | PubMed | Europe PMC
Schäpers D, Manthe U (2019)
The Journal of chemical physics 151(10): 104106.
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 T, Eisfeld W, Manthe U (2019)
The Journal of chemical physics 150(24): 244115.
PUB | DOI | WoS | PubMed | Europe PMC
Lenzen T, Eisfeld W, Manthe U (2019)
The Journal of chemical physics 150(24): 244115.
2019 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2936342
Long-Distance Rate Acceleration by Bulk Gold
Schlimm A, Loew R, Rusch T, Roehricht F, Strunskus T, Tellkamp T, Soennichsen F, Manthe U, Magnussen O, Tuczek F, Herges R (2019)
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 58(20): 6574-6578.
PUB | DOI | WoS | PubMed | Europe PMC
Schlimm A, Loew R, Rusch T, Roehricht F, Strunskus T, Tellkamp T, Soennichsen F, Manthe U, Magnussen O, Tuczek F, Herges R (2019)
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 58(20): 6574-6578.