First-principles theory for the H+CH4 -> H2+CH3 reaction

Wu T, Werner HJ, Manthe U (2004)
Science 306(5705): 2227-2229.

Zeitschriftenaufsatz | Veröffentlicht | Englisch
 
Download
Es wurden keine Dateien hochgeladen. Nur Publikationsnachweis!
DOI
Autor*in
Wu, T; Werner, HJ; Manthe, UweUniBi
Einrichtung
Fakultät für Chemie > Theoretische Chemie
Erscheinungsjahr
2004
Zeitschriftentitel
Science
Band
306
Ausgabe
5705
Seite(n)
2227-2229
ISSN
0036-8075
eISSN
1095-9203
Page URI
https://pub.uni-bielefeld.de/record/1897094

Zitieren

Wu T, Werner HJ, Manthe U. First-principles theory for the H+CH4 -> H2+CH3 reaction. Science. 2004;306(5705):2227-2229.
Wu, T., Werner, H. J., & Manthe, U. (2004). First-principles theory for the H+CH4 -> H2+CH3 reaction. Science, 306(5705), 2227-2229. https://doi.org/10.1126/science.1104085
Wu, T, Werner, HJ, and Manthe, Uwe. 2004. “First-principles theory for the H+CH4 -> H2+CH3 reaction”. Science 306 (5705): 2227-2229.
Wu, T., Werner, H. J., and Manthe, U. (2004). First-principles theory for the H+CH4 -> H2+CH3 reaction. Science 306, 2227-2229.
Wu, T., Werner, H.J., & Manthe, U., 2004. First-principles theory for the H+CH4 -> H2+CH3 reaction. Science, 306(5705), p 2227-2229.
T. Wu, H.J. Werner, and U. Manthe, “First-principles theory for the H+CH4 -> H2+CH3 reaction”, Science, vol. 306, 2004, pp. 2227-2229.
Wu, T., Werner, H.J., Manthe, U.: First-principles theory for the H+CH4 -> H2+CH3 reaction. Science. 306, 2227-2229 (2004).
Wu, T, Werner, HJ, and Manthe, Uwe. “First-principles theory for the H+CH4 -> H2+CH3 reaction”. Science 306.5705 (2004): 2227-2229.

110 Zitationen in Europe PMC

Daten bereitgestellt von Europe PubMed Central.

Rigorous close-coupling quantum dynamics calculation of thermal rate constants for the water formation reaction of H2 + OH on a high-level PES.
Welsch R., J Chem Phys 148(20), 2018
PMID: 29865815
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
Well converged quantum rate constants for the H2 + OH → H2O + H reaction via transition state wave packet.
Sun P, Zhang Z, Chen J, Liu S, Zhang DH., J Chem Phys 149(6), 2018
PMID: 30111127
Low-Temperature Thermal Rate Constants for the Water Formation Reaction H2 +OH from Rigorous Quantum Dynamics Calculations.
Welsch R., Angew Chem Int Ed Engl 57(40), 2018
PMID: 30109753
Natural reaction channels in H + CHD3 → H2 + CD3.
Ellerbrock R, Mantheuwe U., Faraday Discuss 212(0), 2018
PMID: 30226505
Ab initio instanton rate theory made efficient using Gaussian process regression.
Laude G, Calderini D, Tew DP, Richardson JO., Faraday Discuss 212(0), 2018
PMID: 30230495
Dynamical barrier and isotope effects in the simplest substitution reaction via Walden inversion mechanism.
Zhao Z, Zhang Z, Liu S, Zhang DH., Nat Commun 8(), 2017
PMID: 28224993
Quantum and quasiclassical dynamics of the multi-channel H + H2S reaction.
Qi J, Lu D, Song H, Li J, Yang M., J Chem Phys 146(12), 2017
PMID: 28388139
Wavepacket dynamics and the multi-configurational time-dependent Hartree approach.
Manthe U., J Phys Condens Matter 29(25), 2017
PMID: 28430111
Non-adiabatic effects in F + CHD3 reactive scattering.
Palma J, Manthe U., J Chem Phys 146(21), 2017
PMID: 28595412
Neural network based coupled diabatic potential energy surfaces for reactive scattering.
Lenzen T, Manthe U., J Chem Phys 147(8), 2017
PMID: 28863526
Ephemeral collision complexes mediate chemically termolecular transformations that affect system chemistry.
Burke MP, Klippenstein SJ., Nat Chem 9(11), 2017
PMID: 29064498
Kinetic isotope effects and how to describe them.
Karandashev K, Xu ZH, Meuwly M, Vaníček J, Richardson JO., Struct Dyn 4(6), 2017
PMID: 29282447
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
An investigation of one- versus two-dimensional semiclassical transition state theory for H atom abstraction and exchange reactions.
Greene SM, Shan X, Clary DC., J Chem Phys 144(8), 2016
PMID: 26931687
Ab Initio Calculation of Rate Constants for Molecule-Surface Reactions with Chemical Accuracy.
Piccini G, Alessio M, Sauer J., Angew Chem Int Ed Engl 55(17), 2016
PMID: 27008460
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
Quantum and classical dynamics of reactive scattering of H2 from metal surfaces.
Kroes GJ, Díaz C., Chem Soc Rev 45(13), 2016
PMID: 26235525
Rate constants of chemical reactions from semiclassical transition state theory in full and one dimension.
Greene SM, Shan X, Clary DC., J Chem Phys 144(24), 2016
PMID: 27369506
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
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
The multi-configurational time-dependent Hartree approach revisited.
Manthe U., J Chem Phys 142(24), 2015
PMID: 26133412
Communication: Rate coefficients of the H + CH4 → H2 + CH3 reaction from ring polymer molecular dynamics on a highly accurate potential energy surface.
Meng Q, Chen J, Zhang DH., J Chem Phys 143(10), 2015
PMID: 26373990
Mode specific dynamics of the H2 + CH3 → H + CH4 reaction studied using quasi-classical trajectory and eight-dimensional quantum dynamics methods.
Wang Y, Li J, Chen L, Lu Y, Yang M, Guo H., J Chem Phys 143(15), 2015
PMID: 26493907
Quantum theory of concerted electronic and nuclear fluxes associated with adiabatic intramolecular processes.
Bredtmann T, Diestler DJ, Li SD, Manz J, Pérez-Torres JF, Tian WJ, Wu YB, Yang Y, Zhai HJ., Phys Chem Chem Phys 17(44), 2015
PMID: 26480293
Resonances in the entrance channel of the elementary chemical reaction of fluorine and methane.
Westermann T, Kim JB, Weichman ML, Hock C, Yacovitch TI, Palma J, Neumark DM, Manthe U., Angew Chem Int Ed Engl 53(4), 2014
PMID: 24307593
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
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
Correlation functions for fully or partially state-resolved reactive scattering calculations.
Manthe U, Welsch R., J Chem Phys 140(24), 2014
PMID: 24985624
Towards the realization of ab initio dynamics at the speed of molecular mechanics: simulations with interpolated diabatic Hamiltonian.
Park JW, Rhee YM., Chemphyschem 15(15), 2014
PMID: 25080201
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
Effects of reagent rotational excitation on the H + CHD₃ → H₂ + CD₃ reaction: a seven dimensional time-dependent wave packet study.
Zhang Z, Zhang DH., J Chem Phys 141(14), 2014
PMID: 25318724
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
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
Predictive a priori pressure-dependent kinetics.
Jasper AW, Pelzer KM, Miller JA, Kamarchik E, Harding LB, Klippenstein SJ., Science 346(6214), 2014
PMID: 25477457
Rate coefficients of the CF3CHFCF3 + H → CF3CFCF3 + H2 reaction at different temperatures calculated by transition state theory with ab initio and DFT reaction paths.
Ng M, Mok DK, Lee EP, Dyke JM., J Comput Chem 34(7), 2013
PMID: 23115115
Communication: A six-dimensional state-to-state quantum dynamics study of the H + CH4 → H2 + CH3 reaction (J = 0).
Liu S, Chen J, Zhang Z, Zhang DH., J Chem Phys 138(1), 2013
PMID: 23298021
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
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
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
Taking Ockham's razor to enzyme dynamics and catalysis.
Glowacki DR, Harvey JN, Mulholland AJ., Nat Chem 4(3), 2012
PMID: 22354430
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
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
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
First principle nonlinear quantum dynamics using a correlation-based von Neumann entropy.
Westermann T, Manthe U., J Chem Phys 136(20), 2012
PMID: 22667549
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
Protein dynamics and enzyme catalysis: the ghost in the machine?
Glowacki DR, Harvey JN, Mulholland AJ., Biochem Soc Trans 40(3), 2012
PMID: 22616861
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
Interception of excited vibrational quantum states by O2 in atmospheric association reactions.
Glowacki DR, Lockhart J, Blitz MA, Klippenstein SJ, Pilling MJ, Robertson SH, Seakins PW., Science 337(6098), 2012
PMID: 22936771
Electronic fluxes during large amplitude vibrations of single, double and triple bonds.
Bredtmann T, Hupf E, Paulus B., Phys Chem Chem Phys 14(44), 2012
PMID: 23073346
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
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
Bimolecular reaction rates from ring polymer molecular dynamics: application to H + CH4 → H2 + CH3.
Suleimanov YV, Collepardo-Guevara R, Manolopoulos DE., J Chem Phys 134(4), 2011
PMID: 21280711
Multilayer multiconfiguration time-dependent Hartree method: implementation and applications to a Henon-Heiles hamiltonian and to pyrazine.
Vendrell O, Meyer HD., J Chem Phys 134(4), 2011
PMID: 21280715
Reactive resonances in the F + CHD3 reaction--a quantum dynamics study.
von Horsten HF, Clary DC., Phys Chem Chem Phys 13(10), 2011
PMID: 21264397
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
High-dimensional ab initio potential energy surfaces for reaction dynamics calculations.
Bowman JM, Czakó G, Fu B., Phys Chem Chem Phys 13(18), 2011
PMID: 21399779
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
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
An efficient route to thermal rate constants in reduced dimensional quantum scattering simulations: applications to the abstraction of hydrogen from alkanes.
von Horsten HF, Banks ST, Clary DC., J Chem Phys 135(9), 2011
PMID: 21913767
On the chemical processing of hydrocarbon surfaces by fast oxygen ions.
Ennis C, Yuan H, Sibener SJ, Kaiser RI., Phys Chem Chem Phys 13(39), 2011
PMID: 21901185
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
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
Quantum grow--a quantum dynamics sampling approach for growing potential energy surfaces and nonadiabatic couplings.
Godsi O, Collins MA, Peskin U., J Chem Phys 132(12), 2010
PMID: 20370113
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
Direct evaluation of the temperature dependence of the rate constant based on the quantum instanton approximation.
Buchowiecki M, Vanícek J., J Chem Phys 132(19), 2010
PMID: 20499950
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
Depression of reactivity by the collision energy in the single barrier H + CD4 -> HD + CD3 reaction.
Zhang W, Zhou Y, Wu G, Lu Y, Pan H, Fu B, Shuai Q, Liu L, Liu S, Zhang L, Jiang B, Dai D, Lee SY, Xie Z, Braams BJ, Bowman JM, Collins MA, Zhang DH, Yang X., Proc Natl Acad Sci U S A 107(29), 2010
PMID: 20615988
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., J Chem Phys 133(17), 2010
PMID: 21054023
Layered discrete variable representations and their application within the multiconfigurational time-dependent Hartree approach.
Manthe U., J Chem Phys 130(5), 2009
PMID: 19206960
Rate constants calculation with a simple mixed quantum/classical implementation of the flux-flux correlation function method.
Palma J., J Chem Phys 130(12), 2009
PMID: 19334820
H3(+) + H2 isotopic system at low temperatures: microcanonical model and experimental study.
Hugo E, Asvany O, Schlemmer S., J Chem Phys 130(16), 2009
PMID: 19405574
The hydrogen abstraction reaction H + CH4. II. Theoretical investigation of the kinetics and dynamics.
Espinosa-García J, Nyman G, Corchado JC., J Chem Phys 130(18), 2009
PMID: 19449929
Numerically exact quantum dynamics for indistinguishable particles: the multilayer multiconfiguration time-dependent Hartree theory in second quantization representation.
Wang H, Thoss M., J Chem Phys 131(2), 2009
PMID: 19603977
Multiconfigurational time-dependent Hartree calculations for tunneling splittings of vibrational states: Theoretical considerations and application to malonaldehyde.
Hammer T, Coutinho-Neto MD, Viel A, Manthe U., J Chem Phys 131(22), 2009
PMID: 20001026
Rotational effects in complex-forming bimolecular substitution reactions: A quantum-mechanical approach.
Hennig C, Schmatz S., J Chem Phys 131(22), 2009
PMID: 20001032
Theoretical rate constants and kinetic isotope effects in the reaction of methane with H, D, T, and Mu atoms.
Espinosa-García J., Phys Chem Chem Phys 10(9), 2008
PMID: 18292862
The state averaged multiconfigurational time-dependent Hartree approach: vibrational state and reaction rate calculations.
Manthe U., J Chem Phys 128(6), 2008
PMID: 18282029
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
Theoretical study of the dynamics of the H+CH4 and H+C2H6 reactions using a specific-reaction-parameter semiempirical Hamiltonian.
Layfield JP, Owens MD, Troya D., J Chem Phys 128(19), 2008
PMID: 18500860
Theoretical studies on bimolecular reaction dynamics.
Clary DC., Proc Natl Acad Sci U S A 105(35), 2008
PMID: 18626015
Quantum dynamics of chemical reactions.
Clary DC., Science 321(5890), 2008
PMID: 18687951
Full dimensional time-dependent quantum dynamics study of the H + NH3 --> H2 + NH2 reaction.
Yang M., J Chem Phys 129(6), 2008
PMID: 18715077
Polynomial-time quantum algorithm for the simulation of chemical dynamics.
Kassal I, Jordan SP, Love PJ, Mohseni M, Aspuru-Guzik A., Proc Natl Acad Sci U S A 105(48), 2008
PMID: 19033207
Understanding the kinetics of spin-forbidden chemical reactions.
Harvey JN., Phys Chem Chem Phys 9(3), 2007
PMID: 17199148
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
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
Canonical averaging in the second order quantized Hamilton dynamics by extension of the coherent state thermodynamics of the harmonic oscillator.
Heatwole E, Prezhdo OV., J Chem Phys 126(20), 2007
PMID: 17552755
First ultraviolet absorption band of methane: an ab initio study.
van Harrevelt R., J Chem Phys 126(20), 2007
PMID: 17552768
Seven-dimensional quantum dynamics study of the H+NH3-->H2+NH2 reaction.
Yang M, Corchado JC., J Chem Phys 126(21), 2007
PMID: 17567201
Quantum dynamics study of H+NH3-->H2+NH2 reaction.
Zhang XQ, Cui Q, Zhang JZ, Han KL., J Chem Phys 126(23), 2007
PMID: 17600417
Chemical accuracy in QM/MM calculations on enzyme-catalysed reactions.
Mulholland AJ., Chem Cent J 1(), 2007
PMID: 17880750
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
An eight-degree-of-freedom, time-dependent quantum dynamics study for the H2+C2H reaction on a new modified potential energy surface.
Wang D, Huo WM., J Chem Phys 127(15), 2007
PMID: 17949146
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
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
Combined valence bond-molecular mechanics potential-energy surface and direct dynamics study of rate constants and kinetic isotope effects for the H + C2H6 reaction.
Chakraborty A, Zhao Y, Lin H, Truhlar DG., J Chem Phys 124(4), 2006
PMID: 16460170
Quantum reactive scattering of H + hydrocarbon reactions.
Kerkeni B, Clary DC., Phys Chem Chem Phys 8(8), 2006
PMID: 16482334
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
A full dimensional, nine-degree-of-freedom, time-dependent quantum dynamics study for the H2+C2H reaction.
Wang D., J Chem Phys 124(20), 2006
PMID: 16774308
Dynamical pruning of static localized basis sets in time-dependent quantum dynamics.
McCormack DA., J Chem Phys 124(20), 2006
PMID: 16774313
A global 12-dimensional ab initio potential energy surface and dynamical studies for the SiH4+H-->SiH3+H2 reaction.
Wang M, Sun X, Bian W, Cai Z., J Chem Phys 124(23), 2006
PMID: 16821922
High-accuracy computation of reaction barriers in enzymes.
Claeyssens F, Harvey JN, Manby FR, Mata RA, Mulholland AJ, Ranaghan KE, Schütz M, Thiel S, Thiel W, Werner HJ., Angew Chem Int Ed Engl 45(41), 2006
PMID: 16991165
Quasiclassical trajectory study of the reaction H+CH4(nu3 = 0,1)-->CH3+H2 using a new ab initio potential energy surface.
Xie Z, Bowman JM, Zhang X., J Chem Phys 125(13), 2006
PMID: 17029446
Second-order quantized Hamilton dynamics coupled to classical heat bath.
Heatwole EM, Prezhdo OV., J Chem Phys 122(23), 2005
PMID: 16008432
The reaction rate for dissociative adsorption of N2 on stepped Ru(0001): six-dimensional quantum calculations.
van Harrevelt R, Honkala K, Norskov JK, Manthe U., J Chem Phys 122(23), 2005
PMID: 16008468
Effects of C-H stretch excitation on the H+CH4 reaction.
Camden JP, Bechtel HA, Brown DJ, Zare RN., J Chem Phys 123(13), 2005
PMID: 16223282
An eight-degree-of-freedom quantum dynamics study for the H2+C2H system.
Wang D., J Chem Phys 123(19), 2005
PMID: 16321083
Calculating initial-state-selected reaction probabilities from thermal flux eigenstates: a transition-state-based approach.
Huarte-Larrañaga F, Manthe U., J Chem Phys 123(20), 2005
PMID: 16351247
Combining fixed- and moving-grid methods to study direct dissociation processes involving nonadiabatic transitions.
Gindensperger E, Meier C, Beswick JA, Parlant G., J Chem Phys 123(21), 2005
PMID: 16356039

References

Daten bereitgestellt von Europe PubMed Central.

Export

Markieren/ Markierung löschen
Markierte Publikationen

Open Data PUB

Web of Science

Dieser Datensatz im Web of Science®
Quellen

PMID: 15618512
PubMed | Europe PMC

Suchen in

Google Scholar