PUB - Publikationen an der Universität Bielefeld

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• [11]
  

  2015 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2728359

  Welsch, Ralph, and Manthe, Uwe. “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 (2015): 64309.

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

  2015 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2723790

  Welsch, Ralph, and Manthe, Uwe. “Loss of Memory in H + CH4 -> H-2 + CH3 State-to-State Reactive Scattering”. The Journal of Physical Chemistry Letters 6.3 (2015): 338-342.

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

  2014 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2697400

  Welsch, Ralph, and Manthe, Uwe. “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 (2014): 51102.

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• [8]
  

  2014 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2710542

  Welsch, Ralph, and Manthe, Uwe. “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 (2014): 174313.

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

  2014 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2690857

  Manthe, Uwe, and Welsch, Ralph. “Correlation functions for fully or partially state-resolved reactive scattering calculations”. The Journal of Chemical Physics 140.24 (2014): 244113.

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• [6]
  

  2013 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2607293

  Welsch, Ralph, and Manthe, Uwe. “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 (2013): 164118.

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• [5]
  

  2012 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2489333

  Welsch, Ralph, Huarte-Larranaga, Fermin, and Manthe, Uwe. “State-to-state reaction probabilities within the quantum transition state framework”. The Journal of Chemical Physics 136.6 (2012): 64117.

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• [4]
  

  2012 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2510069

  Welsch, Ralph, and Manthe, Uwe. “Thermal flux based analysis of state-to-state reaction probabilities”. Molecular Physics 110.9-10 (2012): 703-715.

  PUB | DOI | WoS
   
• [3]
  

  2012 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2553291

  Welsch, Ralph, and Manthe, Uwe. “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 (2012): 244106.

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• [2]
  

  2012 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2474368

  Ndome, Hameth, Welsch, Ralph, and Eisfeld, Wolfgang. “A new method to generate spin-orbit coupled potential energy surfaces: Effective relativistic coupling by asymptotic representation”. The Journal of Chemical Physics 136.3 (2012): 34103.

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• [1]
  

  2010 | Konferenzbeitrag | Veröffentlicht | PUB-ID: 1936796

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

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