PUB - Publikationen an der Universität Bielefeld

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• [10]
  

  2024 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2988050

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

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

  2023 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2981378

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

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

  2022 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2962329

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

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

  2019 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2936904

  R. Ellerbrock, U. Manthe, and J. Palma, “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, 2019, 123, 7237-7245.

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

  2018 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2921234

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

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

  2018 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2933530

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

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

  2018 | Dissertation | PUB-ID: 2933479

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

  PUB
   
• [3]
  

  2017 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2917175

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

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

  2017 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2910377

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

  PUB | DOI | WoS
   
• [1]
  

  2016 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2904699

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

  PUB | DOI | WoS | PubMed | Europe PMC