11 Publikationen

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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. doi:10.1063/1.4906825
    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. doi:10.1021/jz502525p
    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. doi:10.1063/1.4891917
    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. doi:10.1063/1.4900735
    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. doi:10.1063/1.4884716
    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. doi:10.1063/1.4802059
    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. doi:10.1063/1.3684631
    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. doi:10.1080/00268976.2012.657803
    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. doi:10.1063/1.4772585
    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. doi:10.1063/1.3675846
    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. ESANN 2010 proceedings - European Symposium on Artificial Neural Networks, 213-218
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