11 Publikationen
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2024 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2990820A non-hierarchical multi-layer multi-configurational time-dependent Hartree approach for quantum dynamics on general potential energy surfacesPUB | DOI | WoS | PubMed | Europe PMC
Ellerbrock R, Hoppe H, Manthe U (2024)
The Journal of Chemical Physics 160(22): 224108. -
2024 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2988050QuTree: A tree tensor network packagePUB | DOI | WoS | PubMed | Europe PMC
Ellerbrock R, Johnson KG, Seritan S, Hoppe H, Zhang JH, Lenzen T, Weike T, Manthe U, Martínez TJ (2024)
The Journal of Chemical Physics 160(11): 112501. -
2023 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2981378A numerically exact correlation discrete variable representation for multi-configurational time-dependent Hartree calculationsPUB | DOI | WoS | PubMed | Europe PMC
Ellerbrock R, Hoppe H, Manthe U (2023)
Journal of Chemical Physics 158(24): 244103. -
2022 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2962329Vibrational control of the reaction pathway in the H + CHD3 H2 + CD3 reactionPUB | PDF | DOI | WoS | PubMed | Europe PMC
Ellerbrock R, Zhao B, Manthe U (2022)
Science Advances 8(13): eabm9820. -
2019 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2936904A Quasi-Classical Evaluation of the J-Shifting Approximation for the Reactive Cross Sections of F + CHD3 and F + CH4.PUB | DOI | WoS | PubMed | Europe PMC
Ellerbrock R, Manthe U, Palma J (2019)
Journal of physical chemistry A 123(33): 7237-7245. -
2018 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2921234Full-dimensional quantum dynamics calculations for H+CHD3 -> H-2 + CD3: The effect of multiple vibrational excitationsPUB | DOI | WoS | PubMed | Europe PMC
Ellerbrock R, Manthe U (2018)
JOURNAL OF CHEMICAL PHYSICS 148(22): 224303. -
2018 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2933530Natural reaction channels in H+ CHD3 H-2 + CD3PUB | DOI | WoS | PubMed | Europe PMC
Ellerbrock R, Mantheuwe U (2018)
FARADAY DISCUSSIONS 212: 217-235. -
2018 | Dissertation | PUB-ID: 2933479Quantum state-resolved reactivity of methane and its isotopic analoguesPUB
Ellerbrock R (2018)
Bielefeld: Universität Bielefeld. -
2017 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2917175Communication: Reactivity borrowing in the mode selective chemistry of H + CHD3 -> H-2 + CD3PUB | DOI | WoS | PubMed | Europe PMC
Ellerbrock R, Manthe U (2017)
JOURNAL OF CHEMICAL PHYSICS 147(24): 241104. -
2017 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2910377H+CH4 -> H-2 + CH3 initial state-selected reaction probabilities on different potential energy surfacesPUB | DOI | WoS
Ellerbrock R, Manthe U (2017)
CHEMICAL PHYSICS 482: 106-112. -
2016 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2904699S-matrix decomposition, natural reaction channels, and the quantum transition state approach to reactive scatteringPUB | DOI | WoS | PubMed | Europe PMC
Manthe U, Ellerbrock R (2016)
JOURNAL OF CHEMICAL PHYSICS 144(20): 204119.