321 related articles for article (PubMed ID: 16674135)
1. 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; 2006 Apr; 124(16):164307. PubMed ID: 16674135
[TBL] [Abstract][Full Text] [Related]
2. Thermochemistry and accurate quantum reaction rate calculations for H2/HD/D2 + CH3.
Nyman G; van Harrevelt R; Manthe U
J Phys Chem A; 2007 Oct; 111(41):10331-7. PubMed ID: 17547382
[TBL] [Abstract][Full Text] [Related]
3. 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; 2010 Feb; 132(8):084103. PubMed ID: 20192286
[TBL] [Abstract][Full Text] [Related]
4. Accurate quantum calculations of the reaction rates for H/D+CH4.
van Harrevelt R; Nyman G; Manthe U
J Chem Phys; 2007 Feb; 126(8):084303. PubMed ID: 17343444
[TBL] [Abstract][Full Text] [Related]
5. 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; 2010 Sep; 114(36):9617-22. PubMed ID: 20518477
[TBL] [Abstract][Full Text] [Related]
6. A transition state wave packet study of the H+CH4 reaction.
Zhang L; Lu Y; Lee SY; Zhang DH
J Chem Phys; 2007 Dec; 127(23):234313. PubMed ID: 18154388
[TBL] [Abstract][Full Text] [Related]
7. 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; 2004 Feb; 120(7):3100-7. PubMed ID: 15268462
[TBL] [Abstract][Full Text] [Related]
8. Comparison of quantum dynamics and quantum transition state theory estimates of the H + CH4 reaction rate.
Andersson S; Nyman G; Arnaldsson A; Manthe U; Jónsson H
J Phys Chem A; 2009 Apr; 113(16):4468-78. PubMed ID: 19275158
[TBL] [Abstract][Full Text] [Related]
9. 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; 2011 Feb; 134(6):064323. PubMed ID: 21322696
[TBL] [Abstract][Full Text] [Related]
10. Bimolecular reaction rates from ring polymer molecular dynamics: application to H + CH4 → H2 + CH3.
Suleimanov YV; Collepardo-Guevara R; Manolopoulos DE
J Chem Phys; 2011 Jan; 134(4):044131. PubMed ID: 21280711
[TBL] [Abstract][Full Text] [Related]
11. Reduced dimensionality quantum dynamics of CH3 + CH4 --> CH4 + CH3: symmetric hydrogen exchange on an Ab initio potential.
Remmert SM; Banks ST; Clary DC
J Phys Chem A; 2009 Apr; 113(16):4255-64. PubMed ID: 19254017
[TBL] [Abstract][Full Text] [Related]
12. Rotational excitations in para-H2+para-H2 collisions: full- and reduced-dimensional quantum wave packet studies comparing different potential energy surfaces.
Otto F; Gatti F; Meyer HD
J Chem Phys; 2008 Feb; 128(6):064305. PubMed ID: 18282036
[TBL] [Abstract][Full Text] [Related]
13. 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; 2012 Dec; 137(24):244106. PubMed ID: 23277927
[TBL] [Abstract][Full Text] [Related]
14. Calculating initial-state-selected reaction probabilities from thermal flux eigenstates: a transition-state-based approach.
Huarte-Larrañaga F; Manthe U
J Chem Phys; 2005 Nov; 123(20):204114. PubMed ID: 16351247
[TBL] [Abstract][Full Text] [Related]
15. Semiclassical nonadiabatic dynamics based on quantum trajectories for the O(3P,1D) + H2 system.
Garashchuk S; Rassolov VA; Schatz GC
J Chem Phys; 2006 Jun; 124(24):244307. PubMed ID: 16821977
[TBL] [Abstract][Full Text] [Related]
16. State-to-state reactive differential cross sections for the H+H2-->H2+H reaction on five different potential energy surfaces employing a new quantum wavepacket computer code: DIFFREALWAVE.
Hankel M; Smith SC; Allan RJ; Gray SK; Balint-Kurti GG
J Chem Phys; 2006 Oct; 125(16):164303. PubMed ID: 17092069
[TBL] [Abstract][Full Text] [Related]
17. 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; 2006 Jan; 124(4):044315. PubMed ID: 16460170
[TBL] [Abstract][Full Text] [Related]
18. Growing multiconfigurational potential energy surfaces with applications to X + H2 (X = C,N,O) reactions.
Netzloff HM; Collins MA; Gordon MS
J Chem Phys; 2006 Apr; 124(15):154104. PubMed ID: 16674215
[TBL] [Abstract][Full Text] [Related]
19. Multiconfiguration time-dependent Hartree method applied to molecular dissociation on surfaces: H2 + Pt(111).
Crespos C; Meyer HD; Mowrey RC; Kroes GJ
J Chem Phys; 2006 Feb; 124(7):74706. PubMed ID: 16497069
[TBL] [Abstract][Full Text] [Related]
20. Ab initio and direct quasiclassical-trajectory study of the F+CH4-->HF+CH3 reaction.
Troya D
J Chem Phys; 2005 Dec; 123(21):214305. PubMed ID: 16356046
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]