546 related articles for article (PubMed ID: 21932893)
1. Accurate time dependent wave packet calculations for the N + OH reaction.
Bulut N; Roncero O; Jorfi M; Honvault P
J Chem Phys; 2011 Sep; 135(10):104307. PubMed ID: 21932893
[TBL] [Abstract][Full Text] [Related]
2. Time-dependent wave packet and quasiclassical trajectory study of the C(3P) + OH(X 2Pi) --> CO(X 1Sigma+) + H(2S) reaction at the state-to-state level.
Bulut N; Zanchet A; Honvault P; Bussery-Honvault B; Bañares L
J Chem Phys; 2009 May; 130(19):194303. PubMed ID: 19466832
[TBL] [Abstract][Full Text] [Related]
3. Quantum mechanical wave packet and quasiclassical trajectory calculations for the Li + H2(+) reaction.
Bulut N; Castillo JF; Bañares L; Aoiz FJ
J Phys Chem A; 2009 Dec; 113(52):14657-63. PubMed ID: 19621933
[TBL] [Abstract][Full Text] [Related]
4. A five-dimensional quantum dynamics study of the F(2P) + CH4 reaction.
Chu T; Han K; Espinosa-Garcia J
J Chem Phys; 2009 Dec; 131(24):244303. PubMed ID: 20059069
[TBL] [Abstract][Full Text] [Related]
5. Quantum wave packet dynamics of N(2D)+H2 reaction.
Jayachander Rao B; Mahapatra S
J Chem Phys; 2007 Dec; 127(24):244307. PubMed ID: 18163675
[TBL] [Abstract][Full Text] [Related]
6. Quasi-classical trajectory study of the S + OH → SO + H reaction: from reaction probability to thermal rate constant.
Jorfi M; Honvault P
Phys Chem Chem Phys; 2011 May; 13(18):8414-21. PubMed ID: 21331406
[TBL] [Abstract][Full Text] [Related]
7. A comparative study of the H + FO (v = 0, j = 0) --> (OH + F)/(HF + O) reaction from QM and QCT methods.
Chu TS; Zhang H; Yuan SP; Fu AP; Si HZ; Tian FH; Duan YB
J Phys Chem A; 2009 Apr; 113(15):3470-5. PubMed ID: 19317412
[TBL] [Abstract][Full Text] [Related]
8. Time-dependent quantum study of the kinetics of the H(2S) + FO(2II) OH(2II) + F(2P) reaction.
Gogtas F
J Comput Chem; 2008 Sep; 29(12):1889-94. PubMed ID: 18661582
[TBL] [Abstract][Full Text] [Related]
9. The dynamics of the H(+) + D(2) reaction: a comparison of quantum mechanical wavepacket, quasi-classical and statistical-quasi-classical results.
Jambrina PG; Aoiz FJ; Bulut N; Smith SC; Balint-Kurti GG; Hankel M
Phys Chem Chem Phys; 2010 Feb; 12(5):1102-15. PubMed ID: 20094675
[TBL] [Abstract][Full Text] [Related]
10. Real wave packet and quasiclassical trajectory studies of the H+ + LiH reaction.
Bulut N; Castillo JF; Aoiz FJ; Bañares L
Phys Chem Chem Phys; 2008 Feb; 10(6):821-7. PubMed ID: 18231684
[TBL] [Abstract][Full Text] [Related]
11. New results for the OH (nu = 0,j = 0) + CO (nu = 0,j = 0) --> H + CO2 reaction: Five- and full-dimensional quantum dynamical study on several potential energy surfaces.
Valero R; McCormack DA; Kroes GJ
J Chem Phys; 2004 Mar; 120(9):4263-72. PubMed ID: 15268595
[TBL] [Abstract][Full Text] [Related]
12. Energy dependence of differential and integral cross sections for O((1)D)+H(2)(upsilon(i)=0,j(i)=0)-->OH(upsilon(f),j(f))+H reaction.
Lin SY; Guo H
J Chem Phys; 2008 Sep; 129(12):124311. PubMed ID: 19045027
[TBL] [Abstract][Full Text] [Related]
13. Time-dependent quantum study of H(2S) + FO(2Pi) --> OH(2Pi) + F(2P) reaction on the 1(3)A' and 1(3)A'' states.
Gogtas F; Tutuk R; Kurban M
J Comput Chem; 2010 Nov; 31(14):2607-11. PubMed ID: 20740560
[TBL] [Abstract][Full Text] [Related]
14. Accurate time-dependent wave packet study of the Li + H₂⁺ reaction and its isotopic variants.
Aslan E; Bulut N; Castillo JF; Bañares L; Roncero O; Aoiz FJ
J Phys Chem A; 2012 Jan; 116(1):132-8. PubMed ID: 22129246
[TBL] [Abstract][Full Text] [Related]
15. Accurate quantum mechanical calculations of differential and integral cross sections and rate constant for the O+OH reaction using an ab initio potential energy surface.
Lin SY; Guo H; Honvault P; Xu C; Xie D
J Chem Phys; 2008 Jan; 128(1):014303. PubMed ID: 18190192
[TBL] [Abstract][Full Text] [Related]
16. Accurate quantum wave packet calculations for the F + HCl → Cl + HF reaction on the ground 1(2)A' potential energy surface.
Bulut N; Kłos J; Alexander MH
J Chem Phys; 2012 Mar; 136(10):104304. PubMed ID: 22423835
[TBL] [Abstract][Full Text] [Related]
17. A time-dependent wave packet quantum scattering study of the reaction HD+ (v = 0 - 3;j0 = 1) + He --> HeH+(HeD+) + D(H).
Tang X; Houchins C; Lau KC; Ng CY; Dressler RA; Chiu YH; Chu TS; Han KL
J Chem Phys; 2007 Oct; 127(16):164318. PubMed ID: 17979349
[TBL] [Abstract][Full Text] [Related]
18. Quantum dynamics at the state-to-state level of the C + OH reaction on the first excited potential energy surface.
Jorfi M; Honvault P
J Phys Chem A; 2010 Apr; 114(14):4742-7. PubMed ID: 19891469
[TBL] [Abstract][Full Text] [Related]
19. Study of the C(3P) + OH(X2Pi) --> CO(a3Pi) + H(2S) reaction: fully global ab initio potential energy surfaces of the 12A'' and 14A'' excited states and non adiabatic couplings.
Zanchet A; Bussery-Honvault B; Jorfi M; Honvault P
Phys Chem Chem Phys; 2009 Aug; 11(29):6182-91. PubMed ID: 19606328
[TBL] [Abstract][Full Text] [Related]
20. Energy dependent dynamics of the O(1D) + HCl reaction: a quantum, quasiclassical and statistical study.
Bargueño P; Jambrina PG; Alvariño JM; Menéndez M; Verdasco E; Hankel M; Smith SC; Aoiz FJ; González-Lezana T
Phys Chem Chem Phys; 2011 May; 13(18):8502-14. PubMed ID: 21431209
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
