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The Journal of Chemical Physics|November 9, 2010
A transition state view on reactive scattering: initial state-selected reaction probabilities for the H + CH4 → H2 + CH3 reaction studied in full dimensionalityGerd Schiffel, Uwe MantheThe Journal of Chemical Physics|June 3, 2016
S-matrix decomposition, natural reaction channels, and the quantum transition state approach to reactive scatteringUwe Manthe, Roman EllerbrockThe Journal of Chemical Physics|June 10, 2017
Non-adiabatic effects in F + CHD3 reactive scatteringJuliana Palma, Uwe MantheThe Journal of Chemical Physics|February 11, 2012
Iterative diagonalization in the state-averaged multi-configurational time-dependent Hartree approach: excited state tunneling splittings in malonaldehydeThorsten Hammer, Uwe MantheThe Journal of Chemical Physics|March 3, 2010
Quantum dynamics of the H+CH4-->H2+CH3 reaction in curvilinear coordinates: full-dimensional and reduced dimensional calculations of reaction ratesGerd Schiffel, Uwe MantheThe Journal of Chemical Physics|January 3, 2013
Reaction dynamics with the multi-layer multi-configurational time-dependent Hartree approach: H + CH4 → H2 + CH3 rate constants for different potentialsRalph Welsch, Uwe MantheThe Journal of Chemical Physics|August 10, 2014
Communication: Ro-vibrational control of chemical reactivity in H+CH₄→ H₂+CH₃: full-dimensional quantum dynamics calculations and a sudden modelRalph Welsch, Uwe MantheThe Journal of Chemical Physics|July 3, 2014
Correlation functions for fully or partially state-resolved reactive scattering calculationsUwe Manthe, Ralph WelschThe Journal of Chemical Physics|October 17, 2017
A transition-state based rotational sudden (TSRS) approximation for polyatomic reactive scatteringBin Zhao, Uwe MantheThe Journal of Chemical Physics|September 16, 2019
Vibronic coupling in the F·CH4 prereactive complexDaniela Schäpers, Uwe ManthePageof 9