Uwe Manthe - Publications

Affiliations: 
Bielefeld University, Germany, Bielefeld, Nordrhein-Westfalen, Germany 

35 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2021 Zhao B, Manthe U. Direct product-type grid representations for angular coordinates in extended space and their application in the MCTDH approach. The Journal of Chemical Physics. 154: 104115. PMID 33722051 DOI: 10.1063/5.0045054  0.48
2020 Zhao B, Manthe U. Eight-Dimensional Wave Packet Dynamics Within the Quantum Transition-State Framework: State-to-State Reactive Scattering for H + CH ⇆ H + CH. The Journal of Physical Chemistry. A. PMID 33124418 DOI: 10.1021/acs.jpca.0c08461  0.48
2020 Zhao B, Manthe U. Non-adiabatic transitions in the reaction of fluorine with methane. The Journal of Chemical Physics. 152: 231102. PMID 32571073 DOI: 10.1063/5.0013852  0.48
2019 Zhao B, Manthe U. Counter-propagating wave packets in the quantum transition state approach to reactive scattering. The Journal of Chemical Physics. 150: 184103. PMID 31091929 DOI: 10.1063/1.5097997  0.48
2018 Zhao B, Manthe U, Guo H. Fermi resonance controlled product branching in the H + HOD reaction. Physical Chemistry Chemical Physics : Pccp. PMID 29911229 DOI: 10.1039/C8Cp02279H  0.48
2017 Zhao B, Manthe U. A transition-state based rotational sudden (TSRS) approximation for polyatomic reactive scattering. The Journal of Chemical Physics. 147: 144104. PMID 29031274 DOI: 10.1063/1.5003226  0.48
2016 Qi J, Song H, Yang M, Palma J, Manthe U, Guo H. Communication: Mode specific quantum dynamics of the F + CHD3 → HF + CD3 reaction. The Journal of Chemical Physics. 144: 171101. PMID 27155615 DOI: 10.1063/1.4948547  0.64
2015 Wodraszka R, Manthe U. CH+5: Symmetry and the Entangled Rovibrational Quantum States of a Fluxional Molecule. The Journal of Physical Chemistry Letters. 6: 4229-32. PMID 26538038 DOI: 10.1021/Acs.Jpclett.5B01869  0.56
2015 Welsch R, Manthe U. Full-dimensional and reduced-dimensional calculations of initial state-selected reaction probabilities studying the H + CH4 → H2 + CH3 reaction on a neural network PES Journal of Chemical Physics. 142. DOI: 10.1063/1.4906825  0.64
2015 Welsch R, Manthe U. Loss of memory in H + CH4 → H2 + CH3 state-to-state reactive scattering Journal of Physical Chemistry Letters. 6: 338-342. DOI: 10.1021/jz502525p  0.64
2014 Welsch R, Manthe U. The role of the transition state in polyatomic reactions: Initial state-selected reaction probabilities of the H + CH4 → + H2 + CH3 reaction Journal of Chemical Physics. 141. DOI: 10.1063/1.4900735  0.64
2014 Welsch R, Manthe U. Communication: Ro-vibrational control of chemical reactivity in H+CH 4→ H2+CH3: Full-dimensional quantum dynamics calculations and a sudden model Journal of Chemical Physics. 141. DOI: 10.1063/1.4891917  0.64
2014 Manthe U, Welsch R. Correlation functions for fully or partially state-resolved reactive scattering calculations Journal of Chemical Physics. 140. DOI: 10.1063/1.4884716  0.64
2014 Westermann T, Kim JB, Weichman ML, Hock C, Yacovitch TI, Palma J, Neumark DM, Manthe U. Resonances in the entrance channel of the elementary chemical reaction of fluorine and methane Angewandte Chemie - International Edition. 53: 1122-1126. DOI: 10.1002/anie.201307822  0.64
2013 Welsch R, Manthe U. Fast Shepard interpolation on graphics processing units: Potential energy surfaces and dynamics for H CH4 → H2 CH3 Journal of Chemical Physics. 138. PMID 23635122 DOI: 10.1063/1.4802059  0.64
2013 Wodraszka R, Manthe U. Iterative diagonalization in the multiconfigurational time-dependent Hartree approach: ro-vibrational eigenstates. The Journal of Physical Chemistry. A. 117: 7246-55. PMID 23565665 DOI: 10.1021/Jp401129T  0.56
2012 Wodraszka R, Palma J, Manthe U. Vibrational dynamics of the CH4·F- complex. The Journal of Physical Chemistry. A. 116: 11249-59. PMID 22731911 DOI: 10.1021/Jp3052642  0.56
2012 Wodraszka R, Manthe U. A multi-configurational time-dependent Hartree approach to the eigenstates of multi-well systems. The Journal of Chemical Physics. 136: 124119. PMID 22462847 DOI: 10.1063/1.3698308  0.56
2012 Hammer T, Manthe U. Iterative diagonalization in the state-averaged multi-configurational time-dependent Hartree approach: excited state tunneling splittings in malonaldehyde. The Journal of Chemical Physics. 136: 054105. PMID 22320723 DOI: 10.1063/1.3681166  0.64
2012 Welsch R, Manthe U. Thermal flux based analysis of state-to-state reaction probabilities Molecular Physics. 110: 703-715. DOI: 10.1080/00268976.2012.657803  0.64
2012 Welsch R, Manthe U. Reaction dynamics with the multi-layer multi-configurational time-dependent Hartree approach: H CH4 → H2 CH3 rate constants for different potentials Journal of Chemical Physics. 137. DOI: 10.1063/1.4772585  0.64
2012 Welsch R, Huarte-Larrañaga F, Manthe U. State-to-state reaction probabilities within the quantum transition state framework Journal of Chemical Physics. 136. DOI: 10.1063/1.3684631  0.64
2011 Hammer T, Manthe U. Intramolecular proton transfer in malonaldehyde: accurate multilayer multi-configurational time-dependent Hartree calculations. The Journal of Chemical Physics. 134: 224305. PMID 21682512 DOI: 10.1063/1.3598110  0.64
2009 Hammer T, Coutinho-Neto MD, Viel A, Manthe U. Multiconfigurational time-dependent Hartree calculations for tunneling splittings of vibrational states: Theoretical considerations and application to malonaldehyde. The Journal of Chemical Physics. 131: 224109. PMID 20001026 DOI: 10.1063/1.3272610  0.64
2008 Viel A, Eisfeld W, Evenhuis CR, Manthe U. Photoionization-induced dynamics of the ammonia cation studied by wave packet calculations using curvilinear coordinates Chemical Physics. 347: 331-339. DOI: 10.1016/J.Chemphys.2007.10.001  0.64
2007 Viel A, Coutinho-Neto MD, Manthe U. The ground state tunneling splitting and the zero point energy of malonaldehyde: A quantum Monte Carlo determination Journal of Chemical Physics. 126. PMID 17228955 DOI: 10.1063/1.2406074  0.64
2006 Viel A, Eisfeld W, Neumann S, Domcke W, Manthe U. Photoionization-induced dynamics of ammonia: ab initio potential energy surfaces and time-dependent wave packet calculations for the ammonia cation. The Journal of Chemical Physics. 124: 214306. PMID 16774406 DOI: 10.1063/1.2202316  0.64
2006 Wu T, Werner HJ, Manthe U. Accurate potential energy surface and quantum reaction rate calculations for the H+CH4-->H2+CH3 reaction. The Journal of Chemical Physics. 124: 164307. PMID 16674135 DOI: 10.1063/1.2189223  0.64
2004 Wu T, Werner HJ, Manthe U. First-principles theory for the H + CH4 --> H2 + CH3 reaction. Science (New York, N.Y.). 306: 2227-9. PMID 15618512 DOI: 10.1126/Science.1104085  0.64
2004 Viel A, Krawczyk RP, Manthe U, Domcke W. Photoinduced dynamics of ethene in the N, V, and Z valence states: a six-dimensional nonadiabatic quantum dynamics investigation. The Journal of Chemical Physics. 120: 11000-10. PMID 15268130 DOI: 10.1063/1.1740696  0.64
2004 Coutinho-Neto MD, Viel A, Manthe U. The ground state tunneling splitting of malonaldehyde: Accurate full dimensional quantum dynamics calculations Journal of Chemical Physics. 121: 9207-9210. DOI: 10.1063/1.1814356  0.64
2003 Viel A, Krawczyk RP, Manthe U, Domcke W. The sudden-polarization effect and its role in the ultrafast photochemistry of ethene. Angewandte Chemie (International Ed. in English). 42: 3434-6. PMID 12888979 DOI: 10.1002/Anie.200351193  0.64
2003 Krawczyk RP, Viel A, Manthe U, Domcke W. Photoinduced dynamics of the valence states of ethene: A six-dimensional potential-energy surface of three electronic states with several conical intersections Journal of Chemical Physics. 119: 1397-1411. DOI: 10.1063/1.1580092  0.64
1990 Meyer HD, Manthe U, Cederbaum LS. The multi-configurational time-dependent Hartree approach Chemical Physics Letters. 165: 73-78. DOI: 10.1016/0009-2614(90)87014-I  0.64
1990 Spiering H, Alflen M, Gütlich P, Hauser A, Hennen C, Manthe U, Tuczek F. Advances in Mössbauer Emission Spectroscopy Hyperfine Interactions. 53: 113-141. DOI: 10.1007/Bf02101043  0.64
Show low-probability matches.