PUB - Publikationen an der Universität Bielefeld

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• [11]
  

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

  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

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• [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

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• [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.

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• [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

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• [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.

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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.; Manthe, U. (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, 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