187 related articles for article (PubMed ID: 20232959)
1. Quantum dynamics of the C(1D)+HD and C(1D)+n-D2 reactions on the ã 1A' and b 1A" surfaces.
Defazio P; Gamallo P; González M; Akpinar S; Bussery-Honvault B; Honvault P; Petrongolo C
J Chem Phys; 2010 Mar; 132(10):104306. PubMed ID: 20232959
[TBL] [Abstract][Full Text] [Related]
2. Born-Oppenheimer quantum dynamics of the C((1)D)+H(2) reaction on the CH(2) ã (1)A(1) and b (1)B(1) surfaces.
Defazio P; Petrongolo C; Bussery-Honvault B; Honvault P
J Chem Phys; 2009 Sep; 131(11):114303. PubMed ID: 19778109
[TBL] [Abstract][Full Text] [Related]
3. Born-Oppenheimer and Renner-Teller coupled-channel quantum dynamics of the N(2D) + HD reactions.
Gamallo P; Defazio P
J Chem Phys; 2009 Jul; 131(4):044320. PubMed ID: 19655880
[TBL] [Abstract][Full Text] [Related]
4. Adiabatic quantum dynamics of CH(X2Π) + H(2S) reactions on the CH2(X̃3A″) surface and role of the excited electronic states.
Gamallo P; Defazio P; Akpinar S; Petrongolo C
J Phys Chem A; 2012 Aug; 116(32):8291-6. PubMed ID: 22817398
[TBL] [Abstract][Full Text] [Related]
5. Nonadiabatic quantum dynamics of C(1D)+H2→CH+H: coupled-channel calculations including Renner-Teller and Coriolis terms.
Defazio P; Bussery-Honvault B; Honvault P; Petrongolo C
J Chem Phys; 2011 Sep; 135(11):114308. PubMed ID: 21950863
[TBL] [Abstract][Full Text] [Related]
6. Renner-Teller quantum dynamics of the N(2D) + H2-->NH + H reaction.
Defazio P; Petrongolo C
J Chem Phys; 2006 Aug; 125(6):64308. PubMed ID: 16942287
[TBL] [Abstract][Full Text] [Related]
7. Born-Oppenheimer and Renner-Teller Quantum Dynamics of CH(X(2)Π) + D((2)S) Reactions on Three CHD Potential Surfaces.
Gamallo P; Akpinar S; Defazio P; Petrongolo C
J Phys Chem A; 2015 Nov; 119(46):11254-64. PubMed ID: 26522748
[TBL] [Abstract][Full Text] [Related]
8. Renner-Teller coupled-channel dynamics of the N(2D)+H2 reaction and the role of the NH2 A2A1 electronic state.
Gamallo P; Defazio P; González M; Petrongolo C
J Chem Phys; 2008 Dec; 129(24):244307. PubMed ID: 19123507
[TBL] [Abstract][Full Text] [Related]
9. Quantum dynamics of NH(a(1)Delta)+H reactions on the NH(2) A (2)A(1) surface.
Akpinar S; Defazio P; Gamallo P; Petrongolo C
J Chem Phys; 2008 Nov; 129(17):174307. PubMed ID: 19045347
[TBL] [Abstract][Full Text] [Related]
10. Renner-Teller quantum dynamics of NH(a(1)Delta) + H reactions on the NH(2) A(2)A(1) and X(2)B(1) coupled surfaces.
Defazio P; Gamallo P; González M; Petrongolo C
J Phys Chem A; 2010 Sep; 114(36):9749-54. PubMed ID: 20450162
[TBL] [Abstract][Full Text] [Related]
11. Reactions of C(1D) with H2 and its deuterated isotopomers, a wave packet study.
Lin SY; Guo H
J Chem Phys; 2004 Jul; 121(3):1285-92. PubMed ID: 15260670
[TBL] [Abstract][Full Text] [Related]
12. Quasiclassical trajectory study of the C(1D) + H2 reaction and isotopomeric variants: kinetic isotope effect and CD/CH branching ratio.
Joseph S; Caridade PJ; Varandas AJ
J Phys Chem A; 2011 Jul; 115(27):7882-90. PubMed ID: 21644798
[TBL] [Abstract][Full Text] [Related]
13. Adiabatic and non-adiabatic quantum dynamics calculation of O(1D) + D2 → OD + D reaction.
Sun Z; Lin SY; Zheng Y
J Chem Phys; 2011 Dec; 135(23):234301. PubMed ID: 22191869
[TBL] [Abstract][Full Text] [Related]
14. 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]
15. Quantum dynamics of Renner-Teller and isotopic effects in NH(a1Δ) + D(2S) reactions.
Defazio P; Gamallo P; Akpinar S; Petrongolo C
Phys Chem Chem Phys; 2011 May; 13(18):8470-4. PubMed ID: 21399818
[TBL] [Abstract][Full Text] [Related]
16. Nonadiabatic dynamics of O(1D) + N2(X1Σg+) → O(3P) + N2(X1Σg+) on three coupled potential surfaces: symmetry, Coriolis, spin-orbit, and Renner-Teller effects.
Defazio P; Gamallo P; Petrongolo C
J Chem Phys; 2012 Feb; 136(5):054308. PubMed ID: 22320743
[TBL] [Abstract][Full Text] [Related]
17. Cross sections and thermal rate constants for the isotope exchange reaction: D(2S)+OH(2Pi)-->OD(2Pi)+H(2S).
Atahan S; Alexander MH; Rackham EJ
J Chem Phys; 2005 Nov; 123(20):204306. PubMed ID: 16351255
[TBL] [Abstract][Full Text] [Related]
18. Tunneling chemical reactions D + H2 --> DH + H and D + DH --> D2 + H in solid D2-H2 and HD-H2 mixtures: an electron-spin-resonance study.
Kumada T
J Chem Phys; 2006 Mar; 124(9):94504. PubMed ID: 16526864
[TBL] [Abstract][Full Text] [Related]
19. 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]
20. Pulsed laser photolysis and quantum chemical-statistical rate study of the reaction of the ethynyl radical with water vapor.
Carl SA; Nguyen HM; Elsamra RM; Nguyen MT; Peeters J
J Chem Phys; 2005 Mar; 122(11):114307. PubMed ID: 15836215
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
