PUB - Publikationen an der Universität Bielefeld

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• [11]
  

  2024 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2990820

  Ellerbrock, R., Hoppe, H., Manthe, U.: 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 (2024).

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

  2024 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2988050

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

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

  2023 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2981378

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

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

  2022 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2962329

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

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

  2019 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2936904

  Ellerbrock, R., Manthe, U., Palma, J.: 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 (2019).

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

  2018 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2921234

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

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

  2018 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2933530

  Ellerbrock, R., Mantheuwe, U.: Natural reaction channels in H+ CHD3 H-2 + CD3. FARADAY DISCUSSIONS. 212, 217-235 (2018).

  PUB | DOI | WoS | PubMed | Europe PMC
   
• [4]
  

  2018 | Dissertation | PUB-ID: 2933479

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

  PUB
   
• [3]
  

  2017 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2917175

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

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

  2017 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2910377

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

  PUB | DOI | WoS
   
• [1]
  

  2016 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2904699

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

  PUB | DOI | WoS | PubMed | Europe PMC