Roman Ellerbrock

roman.ellerbrock@uni-bielefeld.de
PEVZ-ID
59051107

11 Publikationen

Alle markieren

  • [11]
    2024 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2988050
    R. Ellerbrock, K. G. Johnson, S. Seritan, H. Hoppe, J. H. Zhang, T. Lenzen, T. Weike, U. Manthe, and T. J. Martínez, “QuTree: A tree tensor network package”, The Journal of Chemical Physics, 2024, 160, : 112501.
    PUB | DOI | WoS | PubMed | Europe PMC
     
  • [10]
    2024 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2990820
    R. Ellerbrock, H. Hoppe, and U. Manthe, “A non-hierarchical multi-layer multi-configurational time-dependent Hartree approach for quantum dynamics on general potential energy surfaces”, The Journal of Chemical Physics, 2024, 160, : 224108.
    PUB | DOI | WoS | PubMed | Europe PMC
     
  • [9]
    2023 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2981378
    R. Ellerbrock, H. Hoppe, and U. Manthe, “A numerically exact correlation discrete variable representation for multi-configurational time-dependent Hartree calculations”, Journal of Chemical Physics, 2023, 158, : 244103.
    PUB | DOI | WoS | PubMed | Europe PMC
     
  • [8]
    2022 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2962329 OA
    R. Ellerbrock, B. Zhao, and U. Manthe, “Vibrational control of the reaction pathway in the H + CHD3 H2 + CD3 reaction”, Science Advances , 2022, 8, : eabm9820.
    PUB | PDF | DOI | WoS | PubMed | Europe PMC
     
  • [7]
    2019 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2936904
    R. Ellerbrock, U. Manthe, and J. Palma, “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, 2019, 123, 7237-7245.
    PUB | DOI | WoS | PubMed | Europe PMC
     
  • [6]
    2018 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2921234
    R. Ellerbrock, and U. Manthe, “Full-dimensional quantum dynamics calculations for H+CHD3 -> H-2 + CD3: The effect of multiple vibrational excitations”, JOURNAL OF CHEMICAL PHYSICS, 2018, 148, : 224303.
    PUB | DOI | WoS | PubMed | Europe PMC
     
  • [5]
    2018 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2933530
    R. Ellerbrock, and U. Mantheuwe, “Natural reaction channels in H+ CHD3 H-2 + CD3”, FARADAY DISCUSSIONS, 2018, 212, 217-235.
    PUB | DOI | WoS | PubMed | Europe PMC
     
  • [4]
    2018 | Dissertation | PUB-ID: 2933479
    R. Ellerbrock, Quantum state-resolved reactivity of methane and its isotopic analogues, Universität Bielefeld, Bielefeld, 2018.
    PUB
     
  • [3]
    2017 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2917175
    R. Ellerbrock, and U. Manthe, “Communication: Reactivity borrowing in the mode selective chemistry of H + CHD3 -> H-2 + CD3”, JOURNAL OF CHEMICAL PHYSICS, 2017, 147, : 241104.
    PUB | DOI | WoS | PubMed | Europe PMC
     
  • [2]
    2017 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2910377
    R. Ellerbrock, and U. Manthe, “H+CH4 -> H-2 + CH3 initial state-selected reaction probabilities on different potential energy surfaces”, CHEMICAL PHYSICS, 2017, 482, 106-112.
    PUB | DOI | WoS
     
  • [1]
    2016 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2904699
    U. Manthe, and R. Ellerbrock, “S-matrix decomposition, natural reaction channels, and the quantum transition state approach to reactive scattering”, JOURNAL OF CHEMICAL PHYSICS, 2016, 144, : 204119.
    PUB | DOI | WoS | PubMed | Europe PMC
     
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