PUB - Publikationen an der Universität Bielefeld

Ralph Welsch

PEVZ-ID

11 Publikationen

[11]

2015 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2728359

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
Welsch R, Manthe U (2015)
The Journal of Chemical Physics 142(6): 64309.

PUB | DOI | WoS | PubMed | Europe PMC

[10]

2015 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2723790

Loss of Memory in H + CH4 -> H-2 + CH3 State-to-State Reactive Scattering
Welsch R, Manthe U (2015)
The Journal of Physical Chemistry Letters 6(3): 338-342.

PUB | DOI | WoS | PubMed | Europe PMC

[9]

2014 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2697400

Communication: Ro-vibrational control of chemical reactivity in H+CH4 -> H-2+CH3 : Full-dimensional quantum dynamics calculations and a sudden model
Welsch R, Manthe U (2014)
The Journal of Chemical Physics 141(5): 51102.

PUB | DOI | WoS | PubMed | Europe PMC

[8]

2014 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2710542

The role of the transition state in polyatomic reactions: Initial state-selected reaction probabilities of the H + CH4 -> H-2 + CH3 reaction
Welsch R, Manthe U (2014)
The Journal of Chemical Physics 141(17): 174313.

PUB | DOI | WoS | PubMed | Europe PMC

[7]

2014 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2690857

Correlation functions for fully or partially state-resolved reactive scattering calculations
Manthe U, Welsch R (2014)
The Journal of Chemical Physics 140(24): 244113.

PUB | DOI | WoS | PubMed | Europe PMC

[6]

2013 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2607293

Fast Shepard interpolation on graphics processing units: Potential energy surfaces and dynamics for H+CH4 -> H-2+CH3
Welsch R, Manthe U (2013)
The Journal of Chemical Physics 138(16): 164118.

PUB | DOI | WoS | PubMed | Europe PMC

[5]

2012 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2489333

State-to-state reaction probabilities within the quantum transition state framework
Welsch R, Huarte-Larranaga F, Manthe U (2012)
The Journal of Chemical Physics 136(6): 64117.

PUB | DOI | WoS | PubMed | Europe PMC

[4]

2012 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2510069

Thermal flux based analysis of state-to-state reaction probabilities
Welsch R, Manthe U (2012)
Molecular Physics 110(9-10): 703-715.

PUB | DOI | WoS

[3]

2012 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2553291

Reaction dynamics with the multi-layer multi-configurational time-dependent Hartree approach: H + CH4 -> H-2 + CH3 rate constants for different potentials
Welsch R, Manthe U (2012)
The Journal Of Chemical Physics 137(24): 244106.

PUB | DOI | WoS | PubMed | Europe PMC

[2]

2012 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2474368

A new method to generate spin-orbit coupled potential energy surfaces: Effective relativistic coupling by asymptotic representation
Ndome H, Welsch R, Eisfeld W (2012)
The Journal of Chemical Physics 136(3): 34103.

PUB | DOI | WoS | PubMed | Europe PMC

[1]

2010 | Konferenzbeitrag | Veröffentlicht | PUB-ID: 1936796

Adaptive learning rate control for neural gas principal component analysis
Schenck W, Welsch R, Kaiser A, Möller R (2010)
In: ESANN 2010 proceedings - European Symposium on Artificial Neural Networks. Bruges (Belgium): d-side publications: 213-218.

PUB

11 Publikationen

[11]

2015 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2728359

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
Welsch R, Manthe U (2015)
The Journal of Chemical Physics 142(6): 64309.

PUB | DOI | WoS | PubMed | Europe PMC

[10]

2015 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2723790

Loss of Memory in H + CH4 -> H-2 + CH3 State-to-State Reactive Scattering
Welsch R, Manthe U (2015)
The Journal of Physical Chemistry Letters 6(3): 338-342.

PUB | DOI | WoS | PubMed | Europe PMC

[9]

2014 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2697400

Communication: Ro-vibrational control of chemical reactivity in H+CH4 -> H-2+CH3 : Full-dimensional quantum dynamics calculations and a sudden model
Welsch R, Manthe U (2014)
The Journal of Chemical Physics 141(5): 51102.

PUB | DOI | WoS | PubMed | Europe PMC

[8]

2014 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2710542

The role of the transition state in polyatomic reactions: Initial state-selected reaction probabilities of the H + CH4 -> H-2 + CH3 reaction
Welsch R, Manthe U (2014)
The Journal of Chemical Physics 141(17): 174313.

PUB | DOI | WoS | PubMed | Europe PMC

[7]

2014 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2690857

Correlation functions for fully or partially state-resolved reactive scattering calculations
Manthe U, Welsch R (2014)
The Journal of Chemical Physics 140(24): 244113.

PUB | DOI | WoS | PubMed | Europe PMC

[6]

2013 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2607293

Fast Shepard interpolation on graphics processing units: Potential energy surfaces and dynamics for H+CH4 -> H-2+CH3
Welsch R, Manthe U (2013)
The Journal of Chemical Physics 138(16): 164118.

PUB | DOI | WoS | PubMed | Europe PMC

[5]

2012 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2489333

State-to-state reaction probabilities within the quantum transition state framework
Welsch R, Huarte-Larranaga F, Manthe U (2012)
The Journal of Chemical Physics 136(6): 64117.

PUB | DOI | WoS | PubMed | Europe PMC

[4]

2012 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2510069

Thermal flux based analysis of state-to-state reaction probabilities
Welsch R, Manthe U (2012)
Molecular Physics 110(9-10): 703-715.

PUB | DOI | WoS

[3]

2012 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2553291

Reaction dynamics with the multi-layer multi-configurational time-dependent Hartree approach: H + CH4 -> H-2 + CH3 rate constants for different potentials
Welsch R, Manthe U (2012)
The Journal Of Chemical Physics 137(24): 244106.

PUB | DOI | WoS | PubMed | Europe PMC

[2]

2012 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2474368

A new method to generate spin-orbit coupled potential energy surfaces: Effective relativistic coupling by asymptotic representation
Ndome H, Welsch R, Eisfeld W (2012)
The Journal of Chemical Physics 136(3): 34103.

PUB | DOI | WoS | PubMed | Europe PMC

[1]

2010 | Konferenzbeitrag | Veröffentlicht | PUB-ID: 1936796

Adaptive learning rate control for neural gas principal component analysis
Schenck W, Welsch R, Kaiser A, Möller R (2010)
In: ESANN 2010 proceedings - European Symposium on Artificial Neural Networks. Bruges (Belgium): d-side publications: 213-218.

PUB