PUB - Publikationen an der Universität Bielefeld

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• [11]
  

  2015 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2728359

  Welsch R, 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(6): 64309.

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

  2015 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2723790

  Welsch R, Manthe U (2015)
  Loss of Memory in H + CH4 -> H-2 + CH3 State-to-State Reactive Scattering.
  The Journal of Physical Chemistry Letters 6(3): 338-342.

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

  2014 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2697400

  Welsch R, 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(5): 51102.

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

  2014 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2710542

  Welsch R, 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(17): 174313.

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

  2014 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2690857

  Manthe U, Welsch R (2014)
  Correlation functions for fully or partially state-resolved reactive scattering calculations.
  The Journal of Chemical Physics 140(24): 244113.

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

  2013 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2607293

  Welsch R, 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(16): 164118.

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

  2012 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2489333

  Welsch R, Huarte-Larranaga F, Manthe U (2012)
  State-to-state reaction probabilities within the quantum transition state framework.
  The Journal of Chemical Physics 136(6): 64117.

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

  2012 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2510069

  Welsch R, Manthe U (2012)
  Thermal flux based analysis of state-to-state reaction probabilities.
  Molecular Physics 110(9-10): 703-715.

  PUB | DOI | WoS
   
• [3]
  

  2012 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2553291

  Welsch R, 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(24): 244106.

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

  2012 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2474368

  Ndome H, Welsch R, 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(3): 34103.

  PUB | DOI | WoS | PubMed | Europe PMC
   
• [1]
  

  2010 | Konferenzbeitrag | Veröffentlicht | PUB-ID: 1936796

  Schenck W, Welsch R, Kaiser A, 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.

  PUB