A transition state view on reactive scattering: Initial state-selected reaction probabilities for the H+CH4 -> H2+CH3 reaction studied in full dimensionality
Schiffel G, Manthe U (2010)
JOURNAL OF CHEMICAL PHYSICS 133(17): 174124.
Zeitschriftenaufsatz
| Veröffentlicht | Englisch
Download
Es wurden keine Dateien hochgeladen. Nur Publikationsnachweis!
Autor*in
Einrichtung
Erscheinungsjahr
2010
Zeitschriftentitel
JOURNAL OF CHEMICAL PHYSICS
Band
133
Ausgabe
17
Art.-Nr.
174124
ISSN
0021-9606
Page URI
https://pub.uni-bielefeld.de/record/1929197
Zitieren
Schiffel G, Manthe U. A transition state view on reactive scattering: Initial state-selected reaction probabilities for the H+CH4 -> H2+CH3 reaction studied in full dimensionality. JOURNAL OF CHEMICAL PHYSICS. 2010;133(17): 174124.
Schiffel, G., & Manthe, U. (2010). A transition state view on reactive scattering: Initial state-selected reaction probabilities for the H+CH4 -> H2+CH3 reaction studied in full dimensionality. JOURNAL OF CHEMICAL PHYSICS, 133(17), 174124. https://doi.org/10.1063/1.3489409
Schiffel, Gerd, and Manthe, Uwe. 2010. “A transition state view on reactive scattering: Initial state-selected reaction probabilities for the H+CH4 -> H2+CH3 reaction studied in full dimensionality”. JOURNAL OF CHEMICAL PHYSICS 133 (17): 174124.
Schiffel, G., and Manthe, U. (2010). A transition state view on reactive scattering: Initial state-selected reaction probabilities for the H+CH4 -> H2+CH3 reaction studied in full dimensionality. JOURNAL OF CHEMICAL PHYSICS 133:174124.
Schiffel, G., & Manthe, U., 2010. A transition state view on reactive scattering: Initial state-selected reaction probabilities for the H+CH4 -> H2+CH3 reaction studied in full dimensionality. JOURNAL OF CHEMICAL PHYSICS, 133(17): 174124.
G. Schiffel and U. Manthe, “A transition state view on reactive scattering: Initial state-selected reaction probabilities for the H+CH4 -> H2+CH3 reaction studied in full dimensionality”, JOURNAL OF CHEMICAL PHYSICS, vol. 133, 2010, : 174124.
Schiffel, G., Manthe, U.: A transition state view on reactive scattering: Initial state-selected reaction probabilities for the H+CH4 -> H2+CH3 reaction studied in full dimensionality. JOURNAL OF CHEMICAL PHYSICS. 133, : 174124 (2010).
Schiffel, Gerd, and Manthe, Uwe. “A transition state view on reactive scattering: Initial state-selected reaction probabilities for the H+CH4 -> H2+CH3 reaction studied in full dimensionality”. JOURNAL OF CHEMICAL PHYSICS 133.17 (2010): 174124.
Daten bereitgestellt von European Bioinformatics Institute (EBI)
45 Zitationen in Europe PMC
Daten bereitgestellt von Europe PubMed Central.
On regularizing the MCTDH equations of motion.
Meyer HD, Wang H., J Chem Phys 148(12), 2018
PMID: 29604814
Meyer HD, Wang H., J Chem Phys 148(12), 2018
PMID: 29604814
A general formulation of the quasiclassical trajectory method for reduced-dimensionality reaction dynamics calculations.
Nagy T, Vikár A, Lendvay G., Phys Chem Chem Phys 20(19), 2018
PMID: 29722776
Nagy T, Vikár A, Lendvay G., Phys Chem Chem Phys 20(19), 2018
PMID: 29722776
Full-dimensional quantum dynamics calculations for H + CHD3 → H2 + CD3: The effect of multiple vibrational excitations.
Ellerbrock R, Manthe U., J Chem Phys 148(22), 2018
PMID: 29907049
Ellerbrock R, Manthe U., J Chem Phys 148(22), 2018
PMID: 29907049
On regularizing the ML-MCTDH equations of motion.
Wang H, Meyer HD., J Chem Phys 149(4), 2018
PMID: 30068178
Wang H, Meyer HD., J Chem Phys 149(4), 2018
PMID: 30068178
Natural reaction channels in H + CHD3 → H2 + CD3.
Ellerbrock R, Mantheuwe U., Faraday Discuss 212(0), 2018
PMID: 30226505
Ellerbrock R, Mantheuwe U., Faraday Discuss 212(0), 2018
PMID: 30226505
On the multi-layer multi-configurational time-dependent Hartree approach for bosons and fermions.
Manthe U, Weike T., J Chem Phys 146(6), 2017
PMID: 28201897
Manthe U, Weike T., J Chem Phys 146(6), 2017
PMID: 28201897
Wavepacket dynamics and the multi-configurational time-dependent Hartree approach.
Manthe U., J Phys Condens Matter 29(25), 2017
PMID: 28430111
Manthe U., J Phys Condens Matter 29(25), 2017
PMID: 28430111
A transition-state based rotational sudden (TSRS) approximation for polyatomic reactive scattering.
Zhao B, Manthe U., J Chem Phys 147(14), 2017
PMID: 29031274
Zhao B, Manthe U., J Chem Phys 147(14), 2017
PMID: 29031274
Recent advances in quantum scattering calculations on polyatomic bimolecular reactions.
Fu B, Shan X, Zhang DH, Clary DC., Chem Soc Rev 46(24), 2017
PMID: 29143835
Fu B, Shan X, Zhang DH, Clary DC., Chem Soc Rev 46(24), 2017
PMID: 29143835
Communication: Reactivity borrowing in the mode selective chemistry of H + CHD3 → H2 + CD3.
Ellerbrock R, Manthe U., J Chem Phys 147(24), 2017
PMID: 29289128
Ellerbrock R, Manthe U., J Chem Phys 147(24), 2017
PMID: 29289128
Oscillatory reaction cross sections caused by normal mode sampling in quasiclassical trajectory calculations.
Nagy T, Vikár A, Lendvay G., J Chem Phys 144(1), 2016
PMID: 26747798
Nagy T, Vikár A, Lendvay G., J Chem Phys 144(1), 2016
PMID: 26747798
Control of chemical reactivity by transition-state and beyond.
Guo H, Liu K., Chem Sci 7(7), 2016
PMID: 30155041
Guo H, Liu K., Chem Sci 7(7), 2016
PMID: 30155041
S-matrix decomposition, natural reaction channels, and the quantum transition state approach to reactive scattering.
Manthe U, Ellerbrock R., J Chem Phys 144(20), 2016
PMID: 27250291
Manthe U, Ellerbrock R., J Chem Phys 144(20), 2016
PMID: 27250291
Quantum and classical dynamics of reactive scattering of H2 from metal surfaces.
Kroes GJ, Díaz C., Chem Soc Rev 45(13), 2016
PMID: 26235525
Kroes GJ, Díaz C., Chem Soc Rev 45(13), 2016
PMID: 26235525
Full-dimensional and reduced-dimensional calculations of initial state-selected reaction probabilities studying the H + CH4 → H2 + CH3 reaction on a neural network PES.
Welsch R, Manthe U., J Chem Phys 142(6), 2015
PMID: 25681908
Welsch R, Manthe U., J Chem Phys 142(6), 2015
PMID: 25681908
A seven-degree-of-freedom, time-dependent quantum dynamics study on the energy efficiency in surmounting the central energy barrier of the OH + CH3 → O + CH4 reaction.
Yan P, Wang Y, Li Y, Wang D., J Chem Phys 142(16), 2015
PMID: 25933760
Yan P, Wang Y, Li Y, Wang D., J Chem Phys 142(16), 2015
PMID: 25933760
A permutationally invariant full-dimensional ab initio potential energy surface for the abstraction and exchange channels of the H + CH4 system.
Li J, Chen J, Zhao Z, Xie D, Zhang DH, Guo H., J Chem Phys 142(20), 2015
PMID: 26026442
Li J, Chen J, Zhao Z, Xie D, Zhang DH, Guo H., J Chem Phys 142(20), 2015
PMID: 26026442
The multi-configurational time-dependent Hartree approach revisited.
Manthe U., J Chem Phys 142(24), 2015
PMID: 26133412
Manthe U., J Chem Phys 142(24), 2015
PMID: 26133412
Calculation of state-to-state cross sections for triatomic reaction by the multi-configuration time-dependent Hartree method.
Zhao B, Zhang DH, Lee SY, Sun Z., J Chem Phys 140(16), 2014
PMID: 24784254
Zhao B, Zhang DH, Lee SY, Sun Z., J Chem Phys 140(16), 2014
PMID: 24784254
Accuracy of the centrifugal sudden approximation in the H + CHD₃ → H₂ + CD₃ reaction.
Zhang Z, Chen J, Liu S, Zhang DH., J Chem Phys 140(22), 2014
PMID: 24929385
Zhang Z, Chen J, Liu S, Zhang DH., J Chem Phys 140(22), 2014
PMID: 24929385
Correlation functions for fully or partially state-resolved reactive scattering calculations.
Manthe U, Welsch R., J Chem Phys 140(24), 2014
PMID: 24985624
Manthe U, Welsch R., J Chem Phys 140(24), 2014
PMID: 24985624
Communication: Ro-vibrational control of chemical reactivity in H+CH₄→ H₂+CH₃: full-dimensional quantum dynamics calculations and a sudden model.
Welsch R, Manthe U., J Chem Phys 141(5), 2014
PMID: 25106559
Welsch R, Manthe U., J Chem Phys 141(5), 2014
PMID: 25106559
Nine-dimensional quantum dynamics study of the H₂ + NH₂ → H + NH₃ reaction: a rigorous test of the sudden vector projection model.
Song H, Li J, Yang M, Lu Y, Guo H., Phys Chem Chem Phys 16(33), 2014
PMID: 25030197
Song H, Li J, Yang M, Lu Y, Guo H., Phys Chem Chem Phys 16(33), 2014
PMID: 25030197
The role of the transition state in polyatomic reactions: initial state-selected reaction probabilities of the H + CH₄ → H₂ + CH₃ reaction.
Welsch R, Manthe U., J Chem Phys 141(17), 2014
PMID: 25381520
Welsch R, Manthe U., J Chem Phys 141(17), 2014
PMID: 25381520
Eight-dimensional quantum reaction rate calculations for the H+CH4 and H2+CH3 reactions on recent potential energy surfaces.
Zhou Y, Zhang DH., J Chem Phys 141(19), 2014
PMID: 25416891
Zhou Y, Zhang DH., J Chem Phys 141(19), 2014
PMID: 25416891
A multilayer MCTDH study on the full dimensional vibronic dynamics of naphthalene and anthracene cations.
Meng Q, Meyer HD., J Chem Phys 138(1), 2013
PMID: 23298047
Meng Q, Meyer HD., J Chem Phys 138(1), 2013
PMID: 23298047
Rate coefficients and kinetic isotope effects of the X + CH4 → CH3 + HX (X = H, D, Mu) reactions from ring polymer molecular dynamics.
Li Y, Suleimanov YV, Li J, Green WH, Guo H., J Chem Phys 138(9), 2013
PMID: 23485294
Li Y, Suleimanov YV, Li J, Green WH, Guo H., J Chem Phys 138(9), 2013
PMID: 23485294
Fast Shepard interpolation on graphics processing units: potential energy surfaces and dynamics for H + CH4 → H2 + CH3.
Welsch R, Manthe U., J Chem Phys 138(16), 2013
PMID: 23635122
Welsch R, Manthe U., J Chem Phys 138(16), 2013
PMID: 23635122
Coupled potential energy surface for the F(2P)+CH4→HF+CH3 entrance channel and quantum dynamics of the CH4·F- photodetachment.
Westermann T, Eisfeld W, Manthe U., J Chem Phys 139(1), 2013
PMID: 23822305
Westermann T, Eisfeld W, Manthe U., J Chem Phys 139(1), 2013
PMID: 23822305
An extension of the grid empowered molecular simulator to quantum reactive scattering.
Rampino S, Faginas Lago N, Laganà A, Huarte-Larrañaga F., J Comput Chem 33(6), 2012
PMID: 22213017
Rampino S, Faginas Lago N, Laganà A, Huarte-Larrañaga F., J Comput Chem 33(6), 2012
PMID: 22213017
Iterative diagonalization in the state-averaged multi-configurational time-dependent Hartree approach: excited state tunneling splittings in malonaldehyde.
Hammer T, Manthe U., J Chem Phys 136(5), 2012
PMID: 22320723
Hammer T, Manthe U., J Chem Phys 136(5), 2012
PMID: 22320723
State-to-state reaction probabilities within the quantum transition state framework.
Welsch R, Huarte-Larrañaga F, Manthe U., J Chem Phys 136(6), 2012
PMID: 22360179
Welsch R, Huarte-Larrañaga F, Manthe U., J Chem Phys 136(6), 2012
PMID: 22360179
Fully converged integral cross sections of collision induced dissociation, four-center, and single exchange reactions, and accuracy of the centrifugal sudden approximation in H2 + D2 reaction.
Song H, Lu Y, Lee SY., J Chem Phys 136(11), 2012
PMID: 22443764
Song H, Lu Y, Lee SY., J Chem Phys 136(11), 2012
PMID: 22443764
A multi-configurational time-dependent Hartree approach to the eigenstates of multi-well systems.
Wodraszka R, Manthe U., J Chem Phys 136(12), 2012
PMID: 22462847
Wodraszka R, Manthe U., J Chem Phys 136(12), 2012
PMID: 22462847
Chebyshev high-dimensional model representation (Chebyshev-HDMR) potentials: application to reactive scattering of H2 from Pt(111) and Cu(111) surfaces.
Thomas PS, Somers MF, Hoekstra AW, Kroes GJ., Phys Chem Chem Phys 14(24), 2012
PMID: 22596090
Thomas PS, Somers MF, Hoekstra AW, Kroes GJ., Phys Chem Chem Phys 14(24), 2012
PMID: 22596090
A full-dimensional wave packet dynamics study of the photodetachment spectra of FCH4(-).
Palma J, Manthe U., J Chem Phys 137(4), 2012
PMID: 22852617
Palma J, Manthe U., J Chem Phys 137(4), 2012
PMID: 22852617
Towards chemically accurate simulation of molecule-surface reactions.
Kroes GJ., Phys Chem Chem Phys 14(43), 2012
PMID: 23037951
Kroes GJ., Phys Chem Chem Phys 14(43), 2012
PMID: 23037951
An eight-dimensional quantum mechanical Hamiltonian for X + YCZ3 system and its applications to H + CH4 reaction.
Liu R, Xiong H, Yang M., J Chem Phys 137(17), 2012
PMID: 23145723
Liu R, Xiong H, Yang M., J Chem Phys 137(17), 2012
PMID: 23145723
Reaction dynamics with the multi-layer multi-configurational time-dependent Hartree approach: H + CH4 → H2 + CH3 rate constants for different potentials.
Welsch R, Manthe U., J Chem Phys 137(24), 2012
PMID: 23277927
Welsch R, Manthe U., J Chem Phys 137(24), 2012
PMID: 23277927
Ab initio potential energy surface and quantum dynamics for the H + CH4 → H2 + CH3 reaction.
Zhou Y, Fu B, Wang C, Collins MA, Zhang DH., J Chem Phys 134(6), 2011
PMID: 21322696
Zhou Y, Fu B, Wang C, Collins MA, Zhang DH., J Chem Phys 134(6), 2011
PMID: 21322696
Intramolecular proton transfer in malonaldehyde: accurate multilayer multi-configurational time-dependent Hartree calculations.
Hammer T, Manthe U., J Chem Phys 134(22), 2011
PMID: 21682512
Hammer T, Manthe U., J Chem Phys 134(22), 2011
PMID: 21682512
Full-dimensional time-dependent wave packet dynamics of H2 + D2 reaction.
Song H, Lu Y, Lee SY., J Chem Phys 135(1), 2011
PMID: 21744900
Song H, Lu Y, Lee SY., J Chem Phys 135(1), 2011
PMID: 21744900
Effects of reagent vibrational excitation on the dynamics of the H + CHD3 → H2 + CD3 reaction: a seven-dimensional time-dependent wave packet study.
Zhou Y, Wang C, Zhang DH., J Chem Phys 135(2), 2011
PMID: 21766948
Zhou Y, Wang C, Zhang DH., J Chem Phys 135(2), 2011
PMID: 21766948
Photodissociation of methyl iodide embedded in a host-guest complex: a full dimensional (189D) quantum dynamics study of CH3I@resorc[4]arene.
Westermann T, Brodbeck R, Rozhenko AB, Schoeller W, Manthe U., J Chem Phys 135(18), 2011
PMID: 22088047
Westermann T, Brodbeck R, Rozhenko AB, Schoeller W, Manthe U., J Chem Phys 135(18), 2011
PMID: 22088047
Cross sections and rate constants for OH + H2 reaction on three different potential energy surfaces for ro-vibrationally excited reagents.
Bhattacharya S, Panda AN, Meyer HD., J Chem Phys 135(19), 2011
PMID: 22112077
Bhattacharya S, Panda AN, Meyer HD., J Chem Phys 135(19), 2011
PMID: 22112077
87 References
Daten bereitgestellt von Europe PubMed Central.
State-specific correlation of coincident product pairs in the F + CD4 reaction.
Lin JJ, Zhou J, Shiu W, Liu K., Science 300(5621), 2003
PMID: 12738861
Lin JJ, Zhou J, Shiu W, Liu K., Science 300(5621), 2003
PMID: 12738861
Reactive resonance in a polyatomic reaction.
Shiu W, Lin JJ, Liu K., Phys. Rev. Lett. 92(10), 2004
PMID: 15089205
Shiu W, Lin JJ, Liu K., Phys. Rev. Lett. 92(10), 2004
PMID: 15089205
CH stretching excitation in the early barrier F + CHD3 reaction inhibits CH bond cleavage.
Zhang W, Kawamata H, Liu K., Science 325(5938), 2009
PMID: 19608914
Zhang W, Kawamata H, Liu K., Science 325(5938), 2009
PMID: 19608914
AUTHOR UNKNOWN, 0
Mode- and bond-selective reaction of Cl(2P3/2) with CH3D: C-H stretch overtone excitation near 6000 cm(-1).
Holiday RJ, Kwon CH, Annesley CJ, Fleming Crim F., J Chem Phys 125(13), 2006
PMID: 17029427
Holiday RJ, Kwon CH, Annesley CJ, Fleming Crim F., J Chem Phys 125(13), 2006
PMID: 17029427
Do vibrational excitations of CHD3 preferentially promote reactivity toward the chlorine atom?
Yan S, Wu YT, Zhang B, Yue XF, Liu K., Science 316(5832), 2007
PMID: 17588925
Yan S, Wu YT, Zhang B, Yue XF, Liu K., Science 316(5832), 2007
PMID: 17588925
Tracking the energy flow along the reaction path.
Yan S, Wu YT, Liu K., Proc. Natl. Acad. Sci. U.S.A. 105(35), 2008
PMID: 18664573
Yan S, Wu YT, Liu K., Proc. Natl. Acad. Sci. U.S.A. 105(35), 2008
PMID: 18664573
AUTHOR UNKNOWN, 0
AUTHOR UNKNOWN, 0
AUTHOR UNKNOWN, 0
AUTHOR UNKNOWN, 0
AUTHOR UNKNOWN, 0
AUTHOR UNKNOWN, 0
AUTHOR UNKNOWN, 0
AUTHOR UNKNOWN, 0
AUTHOR UNKNOWN, 0
AUTHOR UNKNOWN, 0
AUTHOR UNKNOWN, 0
AUTHOR UNKNOWN, 0
AUTHOR UNKNOWN, 0
AUTHOR UNKNOWN, 0
AUTHOR UNKNOWN, 0
AUTHOR UNKNOWN, 0
AUTHOR UNKNOWN, 0
AUTHOR UNKNOWN, 0
AUTHOR UNKNOWN, 0
Ab initio rate constants from hyperspherical quantum scattering: application to H + CH4 --> H2 + CH3.
Kerkeni B, Clary DC., J Chem Phys 120(5), 2004
PMID: 15268369
Kerkeni B, Clary DC., J Chem Phys 120(5), 2004
PMID: 15268369
Path integral calculation of thermal rate constants within the quantum instanton approximation: application to the H + CH4 --> H2 + CH3 hydrogen abstraction reaction in full Cartesian space.
Zhao Y, Yamamoto T, Miller WH., J Chem Phys 120(7), 2004
PMID: 15268462
Zhao Y, Yamamoto T, Miller WH., J Chem Phys 120(7), 2004
PMID: 15268462
First-principles theory for the H + CH4 --> H2 + CH3 reaction.
Wu T, Werner HJ, Manthe U., Science 306(5705), 2004
PMID: 15618512
Wu T, Werner HJ, Manthe U., Science 306(5705), 2004
PMID: 15618512
Accurate potential energy surface and quantum reaction rate calculations for the H+CH4-->H2+CH3 reaction.
Wu T, Werner HJ, Manthe U., J Chem Phys 124(16), 2006
PMID: 16674135
Wu T, Werner HJ, Manthe U., J Chem Phys 124(16), 2006
PMID: 16674135
H + CD4 abstraction reaction dynamics: product energy partitioning.
Hu W, Lendvay G, Troya D, Schatz GC, Camden JP, Bechtel HA, Brown DJ, Martin MR, Zare RN., J Phys Chem A 110(9), 2006
PMID: 16509623
Hu W, Lendvay G, Troya D, Schatz GC, Camden JP, Bechtel HA, Brown DJ, Martin MR, Zare RN., J Phys Chem A 110(9), 2006
PMID: 16509623
An ab initio potential surface describing abstraction and exchange for H+CH4.
Zhang X, Braams BJ, Bowman JM., J Chem Phys 124(2), 2006
PMID: 16422563
Zhang X, Braams BJ, Bowman JM., J Chem Phys 124(2), 2006
PMID: 16422563
Accurate quantum calculations of the reaction rates for H/D+CH4.
van Harrevelt R, Nyman G, Manthe U., J Chem Phys 126(8), 2007
PMID: 17343444
van Harrevelt R, Nyman G, Manthe U., J Chem Phys 126(8), 2007
PMID: 17343444
Thermochemistry and accurate quantum reaction rate calculations for H2/HD/D2 + CH3.
Nyman G, van Harrevelt R, Manthe U., J Phys Chem A 111(41), 2007
PMID: 17547382
Nyman G, van Harrevelt R, Manthe U., J Phys Chem A 111(41), 2007
PMID: 17547382
A transition state wave packet study of the H+CH4 reaction.
Zhang L, Lu Y, Lee SY, Zhang DH., J Chem Phys 127(23), 2007
PMID: 18154388
Zhang L, Lu Y, Lee SY, Zhang DH., J Chem Phys 127(23), 2007
PMID: 18154388
Comparison of quantum dynamics and quantum transition state theory estimates of the H + CH4 reaction rate.
Andersson S, Nyman G, Arnaldsson A, Manthe U, Jonsson H., J Phys Chem A 113(16), 2009
PMID: 19275158
Andersson S, Nyman G, Arnaldsson A, Manthe U, Jonsson H., J Phys Chem A 113(16), 2009
PMID: 19275158
Quantum dynamics of the H+CH4-->H2+CH3 reaction in curvilinear coordinates: full-dimensional and reduced dimensional calculations of reaction rates.
Schiffel G, Manthe U., J Chem Phys 132(8), 2010
PMID: 20192286
Schiffel G, Manthe U., J Chem Phys 132(8), 2010
PMID: 20192286
Full-dimensional quantum reaction rate calculations for H + CH(4) → H(2) + CH(3) on a recent potential energy surface.
Schiffel G, Manthe U, Nyman G., J Phys Chem A 114(36), 2010
PMID: 20518477
Schiffel G, Manthe U, Nyman G., J Phys Chem A 114(36), 2010
PMID: 20518477
AUTHOR UNKNOWN, 0
AUTHOR UNKNOWN, 0
AUTHOR UNKNOWN, 0
AUTHOR UNKNOWN, 0
AUTHOR UNKNOWN, 0
Seven-dimensional quantum dynamics study of the O(3P)+CH4 reaction.
Yang M, Lee SY, Zhang DH., J Chem Phys 126(6), 2007
PMID: 17313211
Yang M, Lee SY, Zhang DH., J Chem Phys 126(6), 2007
PMID: 17313211
AUTHOR UNKNOWN, 0
AUTHOR UNKNOWN, 0
AUTHOR UNKNOWN, 0
AUTHOR UNKNOWN, 0
AUTHOR UNKNOWN, 0
Calculating initial-state-selected reaction probabilities from thermal flux eigenstates: a transition-state-based approach.
Huarte-Larranaga F, Manthe U., J Chem Phys 123(20), 2005
PMID: 16351247
Huarte-Larranaga F, Manthe U., J Chem Phys 123(20), 2005
PMID: 16351247
Schinke, 1999
AUTHOR UNKNOWN, 0
AUTHOR UNKNOWN, 0
Multiconfiguration time-dependent Hartree approach to study the OH + H2 reaction.
Bhattacharya S, Panda AN, Meyer HD., J Chem Phys 132(21), 2010
PMID: 20528019
Bhattacharya S, Panda AN, Meyer HD., J Chem Phys 132(21), 2010
PMID: 20528019
Multiconfigurational time-dependent Hartree calculations for dissociative adsorption of H2 on Cu(100).
van Harrevelt R, Manthe U., J Chem Phys 121(8), 2004
PMID: 15303951
van Harrevelt R, Manthe U., J Chem Phys 121(8), 2004
PMID: 15303951
Off-normal incidence dissociative sticking of H2 on Cu(100) studied using six-dimensional quantum calculations.
van Harrevelt R, Manthe U., J Chem Phys 123(12), 2005
PMID: 16392510
van Harrevelt R, Manthe U., J Chem Phys 123(12), 2005
PMID: 16392510
AUTHOR UNKNOWN, 0
Communications: A rigorous transition state based approach to state-specific reaction dynamics: Full-dimensional calculations for H+CH(4)-->H(2)+CH(3).
Schiffel G, Manthe U., J Chem Phys 132(19), 2010
PMID: 20499944
Schiffel G, Manthe U., J Chem Phys 132(19), 2010
PMID: 20499944
The state-to-state-to-state model for direct chemical reactions: application to D+H2-->HD+H.
Gustafsson M, Skodje RT., J Chem Phys 124(14), 2006
PMID: 16626200
Gustafsson M, Skodje RT., J Chem Phys 124(14), 2006
PMID: 16626200
AUTHOR UNKNOWN, 0
AUTHOR UNKNOWN, 0
AUTHOR UNKNOWN, 0
AUTHOR UNKNOWN, 0
AUTHOR UNKNOWN, 0
AUTHOR UNKNOWN, 0
AUTHOR UNKNOWN, 0
AUTHOR UNKNOWN, 0
AUTHOR UNKNOWN, 0
AUTHOR UNKNOWN, 0
AUTHOR UNKNOWN, 0
AUTHOR UNKNOWN, 0
AUTHOR UNKNOWN, 0
AUTHOR UNKNOWN, 0
The state averaged multiconfigurational time-dependent Hartree approach: vibrational state and reaction rate calculations.
Manthe U., J Chem Phys 128(6), 2008
PMID: 18282029
Manthe U., J Chem Phys 128(6), 2008
PMID: 18282029
AUTHOR UNKNOWN, 0
AUTHOR UNKNOWN, 0
AUTHOR UNKNOWN, 0
Quantum dynamics of the CH3 fragment: a curvilinear coordinate system and kinetic energy operators.
Evenhuis C, Nyman G, Manthe U., J Chem Phys 127(14), 2007
PMID: 17935390
Evenhuis C, Nyman G, Manthe U., J Chem Phys 127(14), 2007
PMID: 17935390
AUTHOR UNKNOWN, 0
A multilayer multiconfigurational time-dependent Hartree approach for quantum dynamics on general potential energy surfaces.
Manthe U., J Chem Phys 128(16), 2008
PMID: 18447430
Manthe U., J Chem Phys 128(16), 2008
PMID: 18447430
Layered discrete variable representations and their application within the multiconfigurational time-dependent Hartree approach.
Manthe U., J Chem Phys 130(5), 2009
PMID: 19206960
Manthe U., J Chem Phys 130(5), 2009
PMID: 19206960
AUTHOR UNKNOWN, 0
AUTHOR UNKNOWN, 0
AUTHOR UNKNOWN, 0
AUTHOR UNKNOWN, 0
AUTHOR UNKNOWN, 0
AUTHOR UNKNOWN, 0
Export
Markieren/ Markierung löschen
Markierte Publikationen
Web of Science
Dieser Datensatz im Web of Science®Quellen
PMID: 21054023
PubMed | Europe PMC
Suchen in
Google Scholar