Ralph Welsch
PEVZ-ID
11 Publikationen
-
2015 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2728359Welsch 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. 2015;142(6): 64309.PUB | DOI | WoS | PubMed | Europe PMC
-
2015 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2723790Welsch R, Manthe U. Loss of Memory in H + CH4 -> H-2 + CH3 State-to-State Reactive Scattering. The Journal of Physical Chemistry Letters. 2015;6(3):338-342.PUB | DOI | WoS | PubMed | Europe PMC
-
2014 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2697400Welsch 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. 2014;141(5): 51102.PUB | DOI | WoS | PubMed | Europe PMC
-
2014 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2710542Welsch 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. 2014;141(17): 174313.PUB | DOI | WoS | PubMed | Europe PMC
-
2014 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2690857Manthe U, Welsch R. Correlation functions for fully or partially state-resolved reactive scattering calculations. The Journal of Chemical Physics. 2014;140(24): 244113.PUB | DOI | WoS | PubMed | Europe PMC
-
2013 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2607293Welsch 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. 2013;138(16): 164118.PUB | DOI | WoS | PubMed | Europe PMC
-
2012 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2489333Welsch R, Huarte-Larranaga F, Manthe U. State-to-state reaction probabilities within the quantum transition state framework. The Journal of Chemical Physics. 2012;136(6): 64117.PUB | DOI | WoS | PubMed | Europe PMC
-
-
2012 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2553291Welsch 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. 2012;137(24): 244106.PUB | DOI | WoS | PubMed | Europe PMC
-
2012 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2474368Ndome 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. 2012;136(3): 34103.PUB | DOI | WoS | PubMed | Europe PMC
-
2010 | Konferenzbeitrag | Veröffentlicht | PUB-ID: 1936796Schenck W, Welsch R, Kaiser A, Möller R. 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; 2010: 213-218.PUB