Roman Ellerbrock

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

11 Publikationen

Alle markieren

  • [11]
    2024 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2988050
    Ellerbrock, Roman, Johnson, K. Grace, Seritan, Stefan, Hoppe, Hannes, Zhang, J. H., Lenzen, Tim, Weike, Thomas, Manthe, Uwe, and Martínez, Todd J. “QuTree: A tree tensor network package”. The Journal of Chemical Physics 160.11 (2024): 112501.
    PUB | DOI | WoS | PubMed | Europe PMC
     
  • [10]
    2024 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2990820
    Ellerbrock, Roman, Hoppe, Hannes, and Manthe, Uwe. “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): 224108.
    PUB | DOI | WoS | PubMed | Europe PMC
     
  • [9]
    2023 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2981378
    Ellerbrock, Roman, Hoppe, Hannes, and Manthe, Uwe. “A numerically exact correlation discrete variable representation for multi-configurational time-dependent Hartree calculations”. Journal of Chemical Physics 158.24 (2023): 244103.
    PUB | DOI | WoS | PubMed | Europe PMC
     
  • [8]
    2022 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2962329 OA
    Ellerbrock, Roman, Zhao, Bin, and Manthe, Uwe. “Vibrational control of the reaction pathway in the H + CHD3 H2 + CD3 reaction”. Science Advances 8.13 (2022): eabm9820.
    PUB | PDF | DOI | WoS | PubMed | Europe PMC
     
  • [7]
    2019 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2936904
    Ellerbrock, Roman, Manthe, Uwe, and Palma, Juliana. “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): 7237-7245.
    PUB | DOI | WoS | PubMed | Europe PMC
     
  • [6]
    2018 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2921234
    Ellerbrock, Roman, and Manthe, Uwe. “Full-dimensional quantum dynamics calculations for H+CHD3 -> H-2 + CD3: The effect of multiple vibrational excitations”. JOURNAL OF CHEMICAL PHYSICS 148.22 (2018): 224303.
    PUB | DOI | WoS | PubMed | Europe PMC
     
  • [5]
    2018 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2933530
    Ellerbrock, Roman, and Mantheuwe, Uwe. “Natural reaction channels in H+ CHD3 H-2 + CD3”. FARADAY DISCUSSIONS 212 (2018): 217-235.
    PUB | DOI | WoS | PubMed | Europe PMC
     
  • [4]
    2018 | Dissertation | PUB-ID: 2933479
    Ellerbrock, Roman. Quantum state-resolved reactivity of methane and its isotopic analogues. Bielefeld: Universität Bielefeld, 2018.
    PUB
     
  • [3]
    2017 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2917175
    Ellerbrock, Roman, and Manthe, Uwe. “Communication: Reactivity borrowing in the mode selective chemistry of H + CHD3 -> H-2 + CD3”. JOURNAL OF CHEMICAL PHYSICS 147.24 (2017): 241104.
    PUB | DOI | WoS | PubMed | Europe PMC
     
  • [2]
    2017 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2910377
    Ellerbrock, Roman, and Manthe, Uwe. “H+CH4 -> H-2 + CH3 initial state-selected reaction probabilities on different potential energy surfaces”. CHEMICAL PHYSICS 482 (2017): 106-112.
    PUB | DOI | WoS
     
  • [1]
    2016 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2904699
    Manthe, Uwe, and Ellerbrock, Roman. “S-matrix decomposition, natural reaction channels, and the quantum transition state approach to reactive scattering”. JOURNAL OF CHEMICAL PHYSICS 144.20 (2016): 204119.
    PUB | DOI | WoS | PubMed | Europe PMC
     
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