11 Publikationen

Alle markieren

  • [11]
    2015 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2728359
    Welsch, R., Manthe, U.: 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 (2015).
    PUB | DOI | WoS | PubMed | Europe PMC
     
  • [10]
    2015 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2723790
    Welsch, R., Manthe, U.: Loss of Memory in H + CH4 -> H-2 + CH3 State-to-State Reactive Scattering. The Journal of Physical Chemistry Letters. 6, 338-342 (2015).
    PUB | DOI | WoS | PubMed | Europe PMC
     
  • [9]
    2014 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2697400
    Welsch, R., Manthe, U.: 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 (2014).
    PUB | DOI | WoS | PubMed | Europe PMC
     
  • [8]
    2014 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2710542
    Welsch, R., Manthe, U.: 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 (2014).
    PUB | DOI | WoS | PubMed | Europe PMC
     
  • [7]
    2014 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2690857
    Manthe, U., Welsch, R.: Correlation functions for fully or partially state-resolved reactive scattering calculations. The Journal of Chemical Physics. 140, : 244113 (2014).
    PUB | DOI | WoS | PubMed | Europe PMC
     
  • [6]
    2013 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2607293
    Welsch, R., Manthe, U.: 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 (2013).
    PUB | DOI | WoS | PubMed | Europe PMC
     
  • [5]
    2012 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2489333
    Welsch, R., Huarte-Larranaga, F., Manthe, U.: State-to-state reaction probabilities within the quantum transition state framework. The Journal of Chemical Physics. 136, : 64117 (2012).
    PUB | DOI | WoS | PubMed | Europe PMC
     
  • [4]
    2012 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2510069
    Welsch, R., Manthe, U.: Thermal flux based analysis of state-to-state reaction probabilities. Molecular Physics. 110, 703-715 (2012).
    PUB | DOI | WoS
     
  • [3]
    2012 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2553291
    Welsch, R., Manthe, U.: 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 (2012).
    PUB | DOI | WoS | PubMed | Europe PMC
     
  • [2]
    2012 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2474368
    Ndome, H., Welsch, R., Eisfeld, W.: A new method to generate spin-orbit coupled potential energy surfaces: Effective relativistic coupling by asymptotic representation. The Journal of Chemical Physics. 136, : 34103 (2012).
    PUB | DOI | WoS | PubMed | Europe PMC
     
  • [1]
    2010 | Konferenzbeitrag | Veröffentlicht | PUB-ID: 1936796
    Schenck, W., Welsch, R., Kaiser, A., Möller, R.: Adaptive learning rate control for neural gas principal component analysis. ESANN 2010 proceedings - European Symposium on Artificial Neural Networks. p. 213-218. d-side publications, Bruges (Belgium) (2010).
    PUB
     

Suche

Publikationen filtern

Darstellung / Sortierung

Export / Einbettung