PUB - Publikationen an der Universität Bielefeld

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• [11]
  

  2024 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2988050

  Ellerbrock R, Johnson KG, Seritan S, Hoppe H, Zhang JH, Lenzen T, Weike T, Manthe U, Martínez TJ (2024)
  QuTree: A tree tensor network package.
  The Journal of Chemical Physics 160(11): 112501.

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

  2024 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2990820

  Ellerbrock R, Hoppe H, 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(22): 224108.

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

  2023 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2981378

  Ellerbrock R, Hoppe H, Manthe U (2023)
  A numerically exact correlation discrete variable representation for multi-configurational time-dependent Hartree calculations.
  Journal of Chemical Physics 158(24): 244103.

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

  2022 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2962329

  Ellerbrock R, Zhao B, Manthe U (2022)
  Vibrational control of the reaction pathway in the H + CHD3 H2 + CD3 reaction.
  Science Advances 8(13): eabm9820.

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

  2019 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2936904

  Ellerbrock R, Manthe U, 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(33): 7237-7245.

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

  2018 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2921234

  Ellerbrock R, 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(22): 224303.

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

  2018 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2933530

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

  PUB | DOI | WoS | PubMed | Europe PMC
   
• [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, Manthe U (2017)
  Communication: Reactivity borrowing in the mode selective chemistry of H + CHD3 -> H-2 + CD3.
  JOURNAL OF CHEMICAL PHYSICS 147(24): 241104.

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

  2017 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2910377

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

  PUB | DOI | WoS | PubMed | Europe PMC