PUB - Publikationen an der Universität Bielefeld

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• [11]
  

  2015 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2728359

  Welsch, R., and Manthe, U. (2015). 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 142:64309.

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

  2015 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2723790

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

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

  2014 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2697400

  Welsch, R., and Manthe, U. (2014). 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 141:51102.

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

  2014 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2710542

  Welsch, R., and Manthe, U. (2014). 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 141:174313.

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

  2014 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2690857

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

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

  2013 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2607293

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

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

  2012 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2489333

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

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

  2012 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2510069

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

  PUB | DOI | WoS
   
• [3]
  

  2012 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2553291

  Welsch, R., and Manthe, U. (2012). 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 137:244106.

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

  2012 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2474368

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

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• [1]
  

  2010 | Konferenzbeitrag | Veröffentlicht | PUB-ID: 1936796

  Schenck, W., Welsch, R., Kaiser, A., and Möller, R. (2010). “Adaptive learning rate control for neural gas principal component analysis” in ESANN 2010 proceedings - European Symposium on Artificial Neural Networks (Bruges (Belgium): d-side publications), 213-218.

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