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, Roman, A non-hierarchical multi-layer multi-configurational time-dependent Hartree approach for quantum dynamics on general potential energy surfaces. The Journal of Chemical Physics 160 (22). , 2024 -
2024 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2988050QuTree: A tree tensor network packagePUB | DOI | WoS | PubMed | Europe PMC
Ellerbrock, Roman, QuTree: A tree tensor network package. The Journal of Chemical Physics 160 (11). , 2024 -
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, Roman, A numerically exact correlation discrete variable representation for multi-configurational time-dependent Hartree calculations. Journal of Chemical Physics 158 (24). , 2023 -
2022 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2962329
Vibrational control of the reaction pathway in the H + CHD3 H2 + CD3 reactionPUB | PDF | DOI | WoS | PubMed | Europe PMC
Ellerbrock, Roman, Vibrational control of the reaction pathway in the H + CHD3 H2 + CD3 reaction. Science Advances 8 (13). , 2022 -
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, Roman, A Quasi-Classical Evaluation of the J-Shifting Approximation for the Reactive Cross Sections of F + CHD3 and F + CH4.. Journal of physical chemistry A 123 (33). , 2019 -
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, Roman, Full-dimensional quantum dynamics calculations for H+CHD3 -> H-2 + CD3: The effect of multiple vibrational excitations. JOURNAL OF CHEMICAL PHYSICS 148 (22). , 2018 -
2018 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2933530Natural reaction channels in H+ CHD3 H-2 + CD3PUB | DOI | WoS | PubMed | Europe PMC
Ellerbrock, Roman, Natural reaction channels in H+ CHD3 H-2 + CD3. FARADAY DISCUSSIONS 212 (). , 2018 -
2018 | Dissertation | PUB-ID: 2933479Quantum state-resolved reactivity of methane and its isotopic analoguesPUB
Ellerbrock, Roman, Quantum state-resolved reactivity of methane and its isotopic analogues. (). Bielefeld, 2018 -
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, Roman, Communication: Reactivity borrowing in the mode selective chemistry of H + CHD3 -> H-2 + CD3. JOURNAL OF CHEMICAL PHYSICS 147 (24). , 2017 -
2017 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2910377H+CH4 -> H-2 + CH3 initial state-selected reaction probabilities on different potential energy surfacesPUB | DOI | WoS
Ellerbrock, Roman, H+CH4 -> H-2 + CH3 initial state-selected reaction probabilities on different potential energy surfaces. CHEMICAL PHYSICS 482 (). , 2017 -
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, Uwe, S-matrix decomposition, natural reaction channels, and the quantum transition state approach to reactive scattering. JOURNAL OF CHEMICAL PHYSICS 144 (20). , 2016