PUB - Publikationen an der Universität Bielefeld

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• [11]
  

  2015 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2728359

  R. Welsch, and U. Manthe, “Full-dimensional and reduced-dimensional calculations of initial state-selected reaction probabilities studying the H + CH4 -> H-2 + CH3 reaction on a neural network PES”, The Journal of Chemical Physics, 2015, 142, : 64309.

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

  2015 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2723790

  R. Welsch, and U. Manthe, “Loss of Memory in H + CH4 -> H-2 + CH3 State-to-State Reactive Scattering”, The Journal of Physical Chemistry Letters, 2015, 6, 338-342.

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

  2014 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2697400

  R. Welsch, and U. Manthe, “Communication: Ro-vibrational control of chemical reactivity in H+CH4 -> H-2+CH3 : Full-dimensional quantum dynamics calculations and a sudden model”, The Journal of Chemical Physics, 2014, 141, : 51102.

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

  2014 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2710542

  R. Welsch, and U. Manthe, “The role of the transition state in polyatomic reactions: Initial state-selected reaction probabilities of the H + CH4 -> H-2 + CH3 reaction”, The Journal of Chemical Physics, 2014, 141, : 174313.

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

  2014 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2690857

  U. Manthe, and R. Welsch, “Correlation functions for fully or partially state-resolved reactive scattering calculations”, The Journal of Chemical Physics, 2014, 140, : 244113.

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

  2013 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2607293

  R. Welsch, and U. Manthe, “Fast Shepard interpolation on graphics processing units: Potential energy surfaces and dynamics for H+CH4 -> H-2+CH3”, The Journal of Chemical Physics, 2013, 138, : 164118.

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

  2012 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2489333

  R. Welsch, F. Huarte-Larranaga, and U. Manthe, “State-to-state reaction probabilities within the quantum transition state framework”, The Journal of Chemical Physics, 2012, 136, : 64117.

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

  2012 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2510069

  R. Welsch, and U. Manthe, “Thermal flux based analysis of state-to-state reaction probabilities”, Molecular Physics, 2012, 110, 703-715.

  PUB | DOI | WoS
   
• [3]
  

  2012 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2553291

  R. Welsch, and U. Manthe, “Reaction dynamics with the multi-layer multi-configurational time-dependent Hartree approach: H + CH4 -> H-2 + CH3 rate constants for different potentials”, The Journal Of Chemical Physics, 2012, 137, : 244106.

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

  2012 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2474368

  H. Ndome, R. Welsch, and W. Eisfeld, “A new method to generate spin-orbit coupled potential energy surfaces: Effective relativistic coupling by asymptotic representation”, The Journal of Chemical Physics, 2012, 136, : 34103.

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• [1]
  

  2010 | Konferenzbeitrag | Veröffentlicht | PUB-ID: 1936796

  W. Schenck, R. Welsch, A. Kaiser, and R. Möller, in ESANN 2010 proceedings - European Symposium on Artificial Neural Networks, D-Side Publications, Bruges (Belgium), 2010, p. 213-218.

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