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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.
2018 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2921234
Full-dimensional quantum dynamics calculations for H+CHD3 -> H-2 + CD3: The effect of multiple vibrational excitations
Ellerbrock R, Manthe U (2018)
JOURNAL OF CHEMICAL PHYSICS 148(22): 7.
PUB | DOI | WoS | PubMed | Europe PMC
Ellerbrock R, Manthe U (2018)
JOURNAL OF CHEMICAL PHYSICS 148(22): 7.
2018 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2917286
Isomer identification in flames with double-imaging photoelectron/photoion coincidence spectroscopy (i²PEPICO) using measured and calculated reference photoelectron spectra
Pieper J, Schmitt S, Hemken C, Davies E, Wullenkord J, Brockhinke A, Krüger J, Garcia GA, Nahon L, Lucassen A, Eisfeld W, et al. (2018)
Zeitschrift für Physikalische Chemie 232(2): 153–187.
PUB | DOI | WoS
Pieper J, Schmitt S, Hemken C, Davies E, Wullenkord J, Brockhinke A, Krüger J, Garcia GA, Nahon L, Lucassen A, Eisfeld W, et al. (2018)
Zeitschrift für Physikalische Chemie 232(2): 153–187.
2018 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2919057
Extension of the effective relativistic coupling by asymptotic representation (ERCAR) approach to multi-dimensional potential energy surfaces: 3D model for CH3I
Wittenbrink N, Eisfeld W (2018)
JOURNAL OF CHEMICAL PHYSICS 148(9): 12.
PUB | DOI | WoS
Wittenbrink N, Eisfeld W (2018)
JOURNAL OF CHEMICAL PHYSICS 148(9): 12.
2018 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2921233
NO3 full-dimensional potential energy surfaces and ground state vibrational levels revisited
Viel A, Eisfeld W (2018)
CHEMICAL PHYSICS 509: 81-90.
PUB | DOI | WoS
Viel A, Eisfeld W (2018)
CHEMICAL PHYSICS 509: 81-90.
2017 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2914103
Neural network based coupled diabatic potential energy surfaces for reactive scattering
Lenzen T, Manthe U (2017)
Journal of Chemical Physics 147(8): 084105.
PUB | DOI | WoS | PubMed | Europe PMC
Lenzen T, Manthe U (2017)
Journal of Chemical Physics 147(8): 084105.
2017 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2917175
Communication: Reactivity borrowing in the mode selective chemistry of H + CHD3 -> H-2 + CD3
Ellerbrock R, Manthe U (2017)
JOURNAL OF CHEMICAL PHYSICS 147(24): 4.
PUB | DOI | WoS | PubMed | Europe PMC
Ellerbrock R, Manthe U (2017)
JOURNAL OF CHEMICAL PHYSICS 147(24): 4.
2017 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2916140
On the structure of the P-iodo-, bromo- and chloro-bis(imino)phosphoranes: A DFT study
Schoeller W (2017)
ZEITSCHRIFT FUER NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES 72(11): 895-901.
PUB | DOI | WoS
Schoeller W (2017)
ZEITSCHRIFT FUER NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES 72(11): 895-901.
2017 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2910348
On the multi-layer multi-configurational time-dependent Hartree approach for bosons and fermions
Manthe U, Weike T (2017)
JOURNAL OF CHEMICAL PHYSICS 146(6): 064117.
PUB | DOI | WoS | PubMed | Europe PMC
Manthe U, Weike T (2017)
JOURNAL OF CHEMICAL PHYSICS 146(6): 064117.
2017 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2914104
Quantum dynamics of H-2 in a carbon nanotube: Separation of time scales and resonance enhanced tunneling
Mondelo-Martell M, Huarte-Larranaga F, Manthe U (2017)
JOURNAL OF CHEMICAL PHYSICS 147(8): 084103.
PUB | DOI | WoS | PubMed | Europe PMC
Mondelo-Martell M, Huarte-Larranaga F, Manthe U (2017)
JOURNAL OF CHEMICAL PHYSICS 147(8): 084103.
2017 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2912335
Wavepacket dynamics and the multi-configurational time-dependent Hartree approach
Manthe U (2017)
JOURNAL OF PHYSICS-CONDENSED MATTER 29(25): 253001.
PUB | DOI | WoS | PubMed | Europe PMC
Manthe U (2017)
JOURNAL OF PHYSICS-CONDENSED MATTER 29(25): 253001.