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401 Publikationen
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).
PUB | DOI | WoS | PubMed | Europe PMC
Schäpers D, Manthe U (2019)
The Journal of chemical physics 151(10).
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): 064102.
PUB | DOI | WoS | PubMed | Europe PMC
Lenzen T, Manthe U (2019)
The Journal of chemical physics 150(6): 064102.
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).
PUB | DOI | WoS | PubMed | Europe PMC
Lenzen T, Eisfeld W, Manthe U (2019)
The Journal of chemical physics 150(24).
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.
2019 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2935644
Counter-propagating wave packets in the quantum transition state approach to reactive scattering.
Zhao B, Manthe U (2019)
The Journal of chemical physics 150(18): 184103.
PUB | DOI | WoS | PubMed | Europe PMC
Zhao B, Manthe U (2019)
The Journal of chemical physics 150(18): 184103.
2019 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2934997
The Niecke Biradicals and Their Congeners - The Journey from Stable Biradicaloids to Their Utilization for the Design of Nonlinear Optical Properties
Schoeller W (2019)
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY (11-12): 1495-1506.
PUB | DOI | WoS
Schoeller W (2019)
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY (11-12): 1495-1506.
2018 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2921232
Coordinate systems and kinetic energy operators for multi-configurational time-dependent Hartree calculations studying reactions of methane
Schapers D, Zhao B, Manthe U (2018)
CHEMICAL PHYSICS 509: 37-44.
PUB | DOI | WoS
Schapers D, Zhao B, Manthe U (2018)
CHEMICAL PHYSICS 509: 37-44.
2018 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2933530
Natural reaction channels in H+ CHD3 H-2 + CD3
Ellerbrock R, Mantheuwe U (2018)
FARADAY DISCUSSIONS 212: 217-235.
PUB | DOI | WoS | PubMed | Europe PMC
Ellerbrock R, Mantheuwe U (2018)
FARADAY DISCUSSIONS 212: 217-235.
2018 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2933318
Optimized unoccupied single-particle functions in the (multi-layer) multi-configurational time-dependent Hartree approach
Manthe U (2018)
CHEMICAL PHYSICS 515: 279-286.
PUB | DOI | WoS
Manthe U (2018)
CHEMICAL PHYSICS 515: 279-286.
2018 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2930266
Fermi resonance controlled product branching in the H plus HOD reaction
Zhao B, Manthe U, Guo H (2018)
PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20(25): 17029-17037.
PUB | DOI | WoS | PubMed | Europe PMC
Zhao B, Manthe U, Guo H (2018)
PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20(25): 17029-17037.