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	Pour les 106 documents Envoyer sur ORCID RSS ATOM Exporter BibTeX XML-TEI CSV RTF EndNote PDF HTML Export avancé	Page : Page précédente 1 2 3 4 Page suivante	triés par Pertinence Auteur A→Z Auteur Z→A Titre A→Z Titre Z→A Date de publication croissante Date de publication décroissante Date de dépôt croissante Date de dépôt décroissante

		Wavepacket dynamics and the multi-configurational time-dependent Hartree approach Uwe Manthe Journal of Physics: Condensed Matter, 2017, 29 (25), pp.253001. ⟨10.1088/1361-648X/aa6e96⟩ Article dans une revue hal-02018432v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Communication: Ro-vibrational control of chemical reactivity in H+CH 4 → H 2 +CH 3 : Full-dimensional quantum dynamics calculations and a sudden model Ralph Welsch , Uwe Manthe Journal of Chemical Physics, 2014, 141 (5), pp.051102. ⟨10.1063/1.4891917⟩ Article dans une revue hal-02018446v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		A multi-configurational time-dependent Hartree approach to the eigenstates of multi-well systems Robert Wodraszka , Uwe Manthe Journal of Chemical Physics, 2012, 136 (12), pp.124119. ⟨10.1063/1.3698308⟩ Article dans une revue hal-02018456v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Quantum dynamics of the H+CH4→H2+CH3 reaction in curvilinear coordinates: Full-dimensional and reduced dimensional calculations of reaction rates Gerd Schiffel , Uwe Manthe Journal of Chemical Physics, 2010, 132 (8), pp.084103. ⟨10.1063/1.3304920⟩ Article dans une revue hal-02018489v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		On the integration of the multi-configurational time-dependent Hartree (MCTDH) equations of motion Uwe Manthe Chemical Physics, 2006, 329 (1-3), pp.168-178. ⟨10.1016/j.chemphys.2006.05.028⟩ Article dans une revue istex hal-02018506v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Multiconfigurational time-dependent Hartree calculations for dissociative adsorption of H2 on Cu(100) Rob van Harrevelt , Uwe Manthe Journal of Chemical Physics, 2004, 121 (8), pp.3829-3835. ⟨10.1063/1.1775785⟩ Article dans une revue hal-02018322v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Wavepacket dynamics in five dimensions. Photodissociation of methyl iodide Uwe Manthe , Audrey Dell Hammerich Chemical Physics Letters, 1993, 211 (1), pp.7-14. ⟨10.1016/0009-2614(93)80043-O⟩ Article dans une revue istex hal-02017541v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Vibronically and spin-orbit coupled diabatic potentials for X(P) + CH 4 → HX + CH 3 reactions: General theory and application for X(P) = F( 2 P) Tim Lenzen , Uwe Manthe Journal of Chemical Physics, 2019, 150 (6), pp.064102. ⟨10.1063/1.5063907⟩ Article dans une revue hal-02145158v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Off-normal incidence dissociative sticking of H2 on Cu(100) studied using six-dimensional quantum calculations Rob van Harrevelt , Uwe Manthe Journal of Chemical Physics, 2005, 123 (12), pp.124706. ⟨10.1063/1.2043027⟩ Article dans une revue hal-02018513v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Wave‐packet dynamics within the multiconfiguration Hartree framework: General aspects and application to NOCl Uwe Manthe , Hans-Dieter Meyer , L. S. Cederbaum Journal of Chemical Physics, 1992, 97 (5), pp.3199-3213. ⟨10.1063/1.463007⟩ Article dans une revue hal-02017491v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Full-dimensional quantum dynamics calculations for H + CHD 3 → H 2 + CD 3 : The effect of multiple vibrational excitations Roman Ellerbrock , Uwe Manthe Journal of Chemical Physics, 2018, 148 (22), pp.224303. ⟨10.1063/1.5037797⟩ Article dans une revue hal-02018408v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Non-adiabatic effects in F + CHD3 reactive scattering Juliana Palma , Uwe Manthe Journal of Chemical Physics, 2017, 146 (21), pp.214117. ⟨10.1063/1.4984593⟩ Article dans une revue hal-02018415v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Full-dimensional and reduced-dimensional calculations of initial state-selected reaction probabilities studying the H + CH 4 → H 2 + CH 3 reaction on a neural network PES Ralph Welsch , Uwe Manthe Journal of Chemical Physics, 2015, 142 (6), pp.064309. ⟨10.1063/1.4906825⟩ Article dans une revue hal-02018442v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		On the multi-layer multi-configurational time-dependent Hartree approach for bosons and fermions Uwe Manthe , Thomas Weike Journal of Chemical Physics, 2017, 146 (6), pp.064117. ⟨10.1063/1.4975662⟩ Article dans une revue hal-02022143v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Photodissociation of methyl iodide embedded in a host-guest complex: A full dimensional (189D) quantum dynamics study of CH 3 I@resorc[4]arene Till Westermann , Ralf Brodbeck , Alexander Rozhenko , Wolfgang Schoeller , Uwe Manthe Journal of Chemical Physics, 2011, 135 (18), pp.184102. ⟨10.1063/1.3658040⟩ Article dans une revue hal-02018472v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Loss of Memory in H + CH 4 → H 2 + CH 3 State-to-State Reactive Scattering Ralph Welsch , Uwe Manthe Journal of Physical Chemistry Letters, 2015, 6 (3), pp.338-342. ⟨10.1021/jz502525p⟩ Article dans une revue hal-02018443v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		A potential energy surface construction scheme for accurate reaction rate calculations: General approach and a test for the H+CH4→H2+CH3 reaction Tao Wu , Uwe Manthe Journal of Chemical Physics, 2003, 119 (1), pp.14-23. ⟨10.1063/1.1577328⟩ Article dans une revue hal-02018256v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Degeneracy in discrete variable representations: General considerations and application to the multiconfigurational time-dependent Hartree approach Rob van Harrevelt , Uwe Manthe Journal of Chemical Physics, 2004, 121 (12), pp.5623-5628. ⟨10.1063/1.1782811⟩ Article dans une revue hal-02018516v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Photoionization-induced dynamics of ammonia: Ab initio potential energy surfaces and time-dependent wave packet calculations for the ammonia cation Alexandra Viel , Wolfgang Eisfeld , Stefanie Neumann , Wolfgang Domcke , Uwe Manthe Journal of Chemical Physics, 2006, 124 (21), pp.214306. ⟨10.1063/1.2202316⟩ Article dans une revue hal-01118375v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		The role of the transition state in polyatomic reactions: Initial state-selected reaction probabilities of the H + CH 4 → H 2 + CH 3 reaction Ralph Welsch , Uwe Manthe Journal of Chemical Physics, 2014, 141 (17), pp.174313. ⟨10.1063/1.4900735⟩ Article dans une revue hal-02018449v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Iterative Diagonalization in the Multiconfigurational Time-Dependent Hartree Approach: Ro-vibrational Eigenstates Robert Wodraszka , Uwe Manthe Journal of Physical Chemistry A, 2013, 117 (32), pp.7246-7255. ⟨10.1021/jp401129t⟩ Article dans une revue hal-02018454v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Photodissociation of CH 3 I: A Full-Dimensional (9D) Quantum Dynamics Study Christian R. Evenhuis , Uwe Manthe Journal of Physical Chemistry A, 2011, 115 (23), pp.5992-6001. ⟨10.1021/jp1103998⟩ Article dans une revue hal-02018471v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		The multi-configurational time-dependent Hartree approach H.-D. Meyer , Uwe Manthe , L. S. Cederbaum Chemical Physics Letters, 1990, 165 (1), pp.73-78. ⟨10.1016/0009-2614(90)87014-I⟩ Article dans une revue istex hal-02017481v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Counter-propagating wave packets in the quantum transition state approach to reactive scattering Bin Zhao , Uwe Manthe Journal of Chemical Physics, 2019, 150 (18), pp.184103. ⟨10.1063/1.5097997⟩ Article dans une revue hal-02145157v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Accurate quantum calculations of the reaction rates for H∕D+CH4 Rob van Harrevelt , Gunnar Nyman , Uwe Manthe Journal of Chemical Physics, 2007, 126 (8), pp.084303. ⟨10.1063/1.2464102⟩ Article dans une revue hal-02018498v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Multidimensional time-dependent discrete variable representations in multiconfiguration Hartree calculations Rob van Harrevelt , Uwe Manthe Journal of Chemical Physics, 2005, 123 (6), pp.064106. ⟨10.1063/1.1995692⟩ Article dans une revue hal-02018512v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Quantum mechanical calculation of the OH+HCl→H2O+Cl reaction rate: Full-dimensional accurate, centrifugal sudden, and J -shifting results Fermín Huarte-Larrañaga , Uwe Manthe Journal of Chemical Physics, 2003, 118 (18), pp.8261-8267. ⟨10.1063/1.1565108⟩ Article dans une revue hal-02018251v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		The ground state tunneling splitting of malonaldehyde: Accurate full dimensional quantum dynamics calculations Maurício D. Coutinho-Neto , Alexandra Viel , Uwe Manthe Journal of Chemical Physics, 2004, 121 (19), pp.9207-9210. ⟨10.1063/1.1814356⟩ Article dans une revue hal-01118369v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Full-dimensional quantum study of the vibrational predissociation of the I2⋯Ne2 cluster Christoph Meier , Uwe Manthe Journal of Chemical Physics, 2001, 115 (12), pp.5477-5484. ⟨10.1063/1.1389307⟩ Article dans une revue hal-02017880v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Vibrational Dynamics of the CH 4 ·F – Complex Robert Wodraszka , Juliana Palma , Uwe Manthe Journal of Physical Chemistry A, 2012, 116 (46), pp.11249-11259. ⟨10.1021/jp3052642⟩ Article dans une revue hal-02018466v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More

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Wavepacket dynamics and the multi-configurational time-dependent Hartree approach

Communication: Ro-vibrational control of chemical reactivity in H+CH 4 → H 2 +CH 3 : Full-dimensional quantum dynamics calculations and a sudden model

A multi-configurational time-dependent Hartree approach to the eigenstates of multi-well systems

Quantum dynamics of the H+CH4→H2+CH3 reaction in curvilinear coordinates: Full-dimensional and reduced dimensional calculations of reaction rates

On the integration of the multi-configurational time-dependent Hartree (MCTDH) equations of motion

Multiconfigurational time-dependent Hartree calculations for dissociative adsorption of H2 on Cu(100)

Wavepacket dynamics in five dimensions. Photodissociation of methyl iodide

Vibronically and spin-orbit coupled diabatic potentials for X(P) + CH 4 → HX + CH 3 reactions: General theory and application for X(P) = F( 2 P)

Off-normal incidence dissociative sticking of H2 on Cu(100) studied using six-dimensional quantum calculations

Wave‐packet dynamics within the multiconfiguration Hartree framework: General aspects and application to NOCl

Full-dimensional quantum dynamics calculations for H + CHD 3 → H 2 + CD 3 : The effect of multiple vibrational excitations

Non-adiabatic effects in F + CHD3 reactive scattering

Full-dimensional and reduced-dimensional calculations of initial state-selected reaction probabilities studying the H + CH 4 → H 2 + CH 3 reaction on a neural network PES

On the multi-layer multi-configurational time-dependent Hartree approach for bosons and fermions

Photodissociation of methyl iodide embedded in a host-guest complex: A full dimensional (189D) quantum dynamics study of CH 3 I@resorc[4]arene

Loss of Memory in H + CH 4 → H 2 + CH 3 State-to-State Reactive Scattering

A potential energy surface construction scheme for accurate reaction rate calculations: General approach and a test for the H+CH4→H2+CH3 reaction

Degeneracy in discrete variable representations: General considerations and application to the multiconfigurational time-dependent Hartree approach

Photoionization-induced dynamics of ammonia: Ab initio potential energy surfaces and time-dependent wave packet calculations for the ammonia cation

The role of the transition state in polyatomic reactions: Initial state-selected reaction probabilities of the H + CH 4 → H 2 + CH 3 reaction

Iterative Diagonalization in the Multiconfigurational Time-Dependent Hartree Approach: Ro-vibrational Eigenstates

Photodissociation of CH 3 I: A Full-Dimensional (9D) Quantum Dynamics Study

The multi-configurational time-dependent Hartree approach

Counter-propagating wave packets in the quantum transition state approach to reactive scattering

Accurate quantum calculations of the reaction rates for H∕D+CH4

Multidimensional time-dependent discrete variable representations in multiconfiguration Hartree calculations

Quantum mechanical calculation of the OH+HCl→H2O+Cl reaction rate: Full-dimensional accurate, centrifugal sudden, and J -shifting results

The ground state tunneling splitting of malonaldehyde: Accurate full dimensional quantum dynamics calculations

Full-dimensional quantum study of the vibrational predissociation of the I2⋯Ne2 cluster

Vibrational Dynamics of the CH 4 ·F – Complex