PUB - Publikationen an der Universität Bielefeld

Alle markieren

• [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. S. 213-218.

  PUB