PUB - Publikationen an der Universität Bielefeld

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• [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. 2024. “QuTree: A tree tensor network package”. The Journal of Chemical Physics 160 (11): 112501.

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• [10]
  

  2024 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2990820

  Ellerbrock, Roman, Hoppe, Hannes, and Manthe, Uwe. 2024. “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): 224108.

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• [9]
  

  2023 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2981378

  Ellerbrock, Roman, Hoppe, Hannes, and Manthe, Uwe. 2023. “A numerically exact correlation discrete variable representation for multi-configurational time-dependent Hartree calculations”. Journal of Chemical Physics 158 (24): 244103.

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• [8]
  

  2022 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2962329

  Ellerbrock, Roman, Zhao, Bin, and Manthe, Uwe. 2022. “Vibrational control of the reaction pathway in the H + CHD3 H2 + CD3 reaction”. Science Advances 8 (13): eabm9820.

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• [7]
  

  2019 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2936904

  Ellerbrock, Roman, Manthe, Uwe, and Palma, Juliana. 2019. “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): 7237-7245.

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• [6]
  

  2018 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2921234

  Ellerbrock, Roman, and Manthe, Uwe. 2018. “Full-dimensional quantum dynamics calculations for H+CHD3 -> H-2 + CD3: The effect of multiple vibrational excitations”. JOURNAL OF CHEMICAL PHYSICS 148 (22): 224303.

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• [5]
  

  2018 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2933530

  Ellerbrock, Roman, and Mantheuwe, Uwe. 2018. “Natural reaction channels in H+ CHD3 H-2 + CD3”. FARADAY DISCUSSIONS 212: 217-235.

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• [4]
  

  2018 | Dissertation | PUB-ID: 2933479

  Ellerbrock, Roman. 2018. Quantum state-resolved reactivity of methane and its isotopic analogues. Bielefeld: Universität Bielefeld.

  PUB
   
• [3]
  

  2017 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2917175

  Ellerbrock, Roman, and Manthe, Uwe. 2017. “Communication: Reactivity borrowing in the mode selective chemistry of H + CHD3 -> H-2 + CD3”. JOURNAL OF CHEMICAL PHYSICS 147 (24): 241104.

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• [2]
  

  2017 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2910377

  Ellerbrock, Roman, and Manthe, Uwe. 2017. “H+CH4 -> H-2 + CH3 initial state-selected reaction probabilities on different potential energy surfaces”. CHEMICAL PHYSICS 482: 106-112.

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• [1]
  

  2016 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2904699

  Manthe, Uwe, and Ellerbrock, Roman. 2016. “S-matrix decomposition, natural reaction channels, and the quantum transition state approach to reactive scattering”. JOURNAL OF CHEMICAL PHYSICS 144 (20): 204119.

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