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The Journal of Chemical Physics|September 16, 2004
Degeneracy in discrete variable representations: general considerations and application to the multiconfigurational time-dependent Hartree approachRob van Harrevelt, Uwe Manthe
The Journal of Physical Chemistry. A|February 12, 2011
Photodissociation of CH3I: a full-dimensional (9D) quantum dynamics studyChristian R Evenhuis, Uwe Manthe
The Journal of Chemical Physics|December 15, 2005
Calculating initial-state-selected reaction probabilities from thermal flux eigenstates: a transition-state-based approachFermín Huarte-Larrañaga, Uwe Manthe
The Journal of Chemical Physics|July 1, 2019
Vibronically and spin-orbit coupled diabatic potentials for X(2P) + CH4 → HX + CH3 reactions: Neural network potentials for X = ClTim Lenzen, Wolfgang Eisfeld, Uwe Manthe
The Journal of Physical Chemistry. A|June 4, 2010
Full-dimensional quantum reaction rate calculations for H + CH(4) → H(2) + CH(3) on a recent potential energy surfaceGerd Schiffel, Uwe Manthe, Gunnar Nyman
Physical Chemistry Chemical Physics : PCCP|June 19, 2018
Fermi resonance controlled product branching in the H + HOD reactionBin Zhao, Uwe Manthe, Hua Guo
The Journal of Chemical Physics|July 5, 2013
Coupled potential energy surface for the F(2P)+CH4→HF+CH3 entrance channel and quantum dynamics of the CH4·F- photodetachmentTill Westermann, Wolfgang Eisfeld, Uwe Manthe
The Journal of Chemical Physics|June 22, 2023
A numerically exact correlation discrete variable representation for multi-configurational time-dependent Hartree calculationsRoman Ellerbrock, Hannes Hoppe, Uwe Manthe
The Journal of Chemical Physics|October 16, 2007
Quantum dynamics of the CH3 fragment: a curvilinear coordinate system and kinetic energy operatorsChris Evenhuis, Gunnar Nyman, Uwe Manthe
The Journal of Physical Chemistry. A|July 31, 2019
A Quasi-Classical Evaluation of the J-Shifting Approximation for the Reactive Cross Sections of F + CHD3 and F + CH4Roman Ellerbrock, Uwe Manthe, Juliana Palma
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