PUB - Publikationen an der Universität Bielefeld

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• [11]
  

  2024 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2988050

  Ellerbrock, R., Johnson, K. G., Seritan, S., Hoppe, H., Zhang, J. H., Lenzen, T., Weike, T., Manthe, U., and Martínez, T. J. (2024). QuTree: A tree tensor network package. The Journal of Chemical Physics 160:112501.

  PUB | DOI | WoS | PubMed | Europe PMC
   
• [10]
  

  2024 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2990820

  Ellerbrock, R., Hoppe, H., and Manthe, U. (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 160:224108.

  PUB | DOI | WoS | PubMed | Europe PMC
   
• [9]
  

  2023 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2981378

  Ellerbrock, R., Hoppe, H., and Manthe, U. (2023). A numerically exact correlation discrete variable representation for multi-configurational time-dependent Hartree calculations. Journal of Chemical Physics 158:244103.

  PUB | DOI | WoS | PubMed | Europe PMC
   
• [8]
  

  2022 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2962329

  Ellerbrock, R., Zhao, B., and Manthe, U. (2022). Vibrational control of the reaction pathway in the H + CHD3 H2 + CD3 reaction. Science Advances 8:eabm9820.

  PUB | PDF | DOI | WoS | PubMed | Europe PMC
   
• [7]
  

  2019 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2936904

  Ellerbrock, R., Manthe, U., and Palma, J. (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, 7237-7245.

  PUB | DOI | WoS | PubMed | Europe PMC
   
• [6]
  

  2018 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2921234

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

  PUB | DOI | WoS | PubMed | Europe PMC
   
• [5]
  

  2018 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2933530

  Ellerbrock, R., and Mantheuwe, U. (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, R. (2018). Quantum state-resolved reactivity of methane and its isotopic analogues. Bielefeld: Universität Bielefeld.

  PUB
   
• [3]
  

  2017 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2917175

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

  PUB | DOI | WoS | PubMed | Europe PMC
   
• [2]
  

  2017 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2910377

  Ellerbrock, R., and Manthe, U. (2017). H+CH4 -> H-2 + CH3 initial state-selected reaction probabilities on different potential energy surfaces. CHEMICAL PHYSICS 482, 106-112.

  PUB | DOI | WoS
   
• [1]
  

  2016 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2904699

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

  PUB | DOI | WoS | PubMed | Europe PMC