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Journal of Chemical Physics

Volumn 135, Issue 10, 2011, Pages

Accurate time dependent wave packet calculations for the N+ OH reaction

(4) Bulut, Niyazi a Roncero, Octavio b Jorfi, Mohamed c Honvault, Pascal d

a FIRAT UNIVERSITY (Turkey)

b INSTITUTO DE FÍSICA FUNDAMENTAL (Spain)

c UNIVERSITÉ DU HAVRE (France)

d UNIVERSITÉ DE BOURGOGNE (France)

Author keywords

[No Author keywords available]

Indexed keywords

ADIABATIC POTENTIAL ENERGY SURFACE; COLLISION ENERGIES; CROSS SECTION; EXPERIMENTAL DATA; HELICITIES; INTEGRAL CROSS-SECTIONS; OH REACTION; QUANTUM CALCULATION; QUANTUM MECHANICAL; QUASICLASSICAL TRAJECTORIES; REACTION CROSS-SECTIONS; REACTION PROBABILITY; ROVIBRATIONAL STATE; THEORETICAL VALUES; TIME-DEPENDENT WAVE-PACKET CALCULATIONS; WAVE PACKET CALCULATION; WAVE-PACKET METHOD;

POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; WAVE PACKETS;

RATE CONSTANTS;

EID: 80052929109 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.3633240 Document Type: Article

Times cited : (22)

References (39)

1
- 0004240372
- 3rd ed. (Oxford University Press, New York).
- R. P. Wayne, Chemistry of Atmospheres, 3rd ed. (Oxford University Press, New York, 2000).
- (2000) Chemistry of Atmospheres
- Wayne, R.P.¹

2
- 33645677490
- 10.1021/jp054429u
- D. Carty, A. Goddard, S. P. K. Kohler, I. R. Sims, and I. W. M. Smith, J. Phys. Chem. A 110, 3101 (2006). 10.1021/jp054429u
- (2006) J. Phys. Chem. A , vol.110 , pp. 3101
- Carty, D.¹ Goddard, A.² Kohler, S.P.K.³ Sims, I.R.⁴ Smith, I.W.M.⁵

3
- 34248395565
- Cross sections and rate constants for the C (P3) +OH (X Π2) →cO (X +1) +H (S2) reaction using a quasiclassical trajectory method
- DOI 10.1063/1.2731788
- A. Zanchet, P. Halvick, J. C. Rayez, B. Bussery-Honvault, and P. Honvault, J. Chem. Phys. 126, 184308 (2007). 10.1063/1.2731788 (Pubitemid 46743619)
- (2007) Journal of Chemical Physics , vol.126 , Issue.18 , pp. 184308
- Zanchet, A.¹ Halvick, P.² Rayez, J.-C.³ Bussery-Honvault, B.⁴ Honvault, P.⁵

4
- 44449144518
- 2S) reaction using a quasiclassical trajectory method
- DOI 10.1063/1.2924124
- A. Zanchet, P. Halvick, B. Bussery-Honvault, and P. Honvault, J. Chem. Phys. 128, 204301 (2008). 10.1063/1.2924124 (Pubitemid 351770618)
- (2008) Journal of Chemical Physics , vol.128 , Issue.20 , pp. 204301
- Zanchet, A.¹ Halvick, P.² Bussery-Honvault, B.³ Honvault, P.⁴

5
- 65949091586
- 10.1063/1.3125956
- N. Bulut, A. Zanchet, P. Honvault, B. Bussery-Honvault, and L. Baares, J. Chem. Phys. 130, 194303 (2009). 10.1063/1.3125956
- (2009) J. Chem. Phys. , vol.130 , pp. 194303
- Bulut, N.¹ Zanchet, A.² Honvault, P.³ Bussery-Honvault, B.⁴ Baares, L.⁵

6
- 79951872911
- 10.1080/00268976.2010.534739
- M. Jorfi, P. Honvault, B. Bussery-Honvault, L. Baares, and N. Bulut, Mol. Phys. 109, 543 (2011). 10.1080/00268976.2010.534739
- (2011) Mol. Phys. , vol.109 , pp. 543
- Jorfi, M.¹ Honvault, P.² Bussery-Honvault, B.³ Baares, L.⁴ Bulut, N.⁵

7
- 4544265604
- 10.1063/1.1780168
- S. Gmez-Carrasco, L. Gonzlez-Snchez, A. Aguado, O. Roncero, J. M. Alvario, M. L. Hernndez, and M. Paniagua, J. Chem. Phys. 121, 4605 (2004). 10.1063/1.1780168
- (2004) J. Chem. Phys. , vol.121 , pp. 4605
- Gmez-Carrasco, S.¹ Gonzlez-Snchez, L.² Aguado, A.³ Roncero, O.⁴ Alvario, J.M.⁵ Hernndez, M.L.⁶ Paniagua, M.⁷

8
- 25444466213
- 3A′ potential-energy surfaces
- DOI 10.1063/1.2046669, 114310
- S. Gmez-Carrasco, O. Roncero, L. Gonzlez-Snchez, M. L. Hernndez, J. M. Alvario, M. Paniagua, and A. Aguado, J. Chem. Phys. 123, 114310 (2005). 10.1063/1.2046669 (Pubitemid 41377067)
- (2005) Journal of Chemical Physics , vol.123 , Issue.11 , pp. 1-13
- Gomez-Carrasco, S.¹ Roncero, O.² Gonzalez-Sanchez, L.³ Hernandez, M.L.⁴ Alvarino, J.M.⁵ Paniagua, M.⁶ Aguado, A.⁷

9
- 77956512507
- 10.1021/jp101914a
- A. Zanchet, T. Gonzlez-Lezana, A. Aguado, S. Gmez-Carrasco, and O. Roncero, J. Phys. Chem. A 114, 9733 (2010). 10.1021/jp101914a
- (2010) J. Phys. Chem. A , vol.114 , pp. 9733
- Zanchet, A.¹ Gonzlez-Lezana, T.² Aguado, A.³ Gmez-Carrasco, S.⁴ Roncero, O.⁵

10
- 33750456175
- Coupled diabatic potential energy surfaces for studying the nonadiabatic dynamics at conical intersections in angular resolved photodetachment simulations of OHF → OHF + e
- DOI 10.1063/1.2363988
- S. Gmez-Carrasco, A. Aguado, M. Paniagua, and O. Roncero, J. Chem. Phys. 125, 164321 (2006). 10.1063/1.2363988 (Pubitemid 44658368)
- (2006) Journal of Chemical Physics , vol.125 , Issue.16 , pp. 164321
- Gomez-Carrasco, S.¹ Aguado, A.² Paniagua, M.³ Roncero, O.⁴

11
- 51449112827
- 10.1142/S021963360800399X
- M. H. Ge, T. S. Chu, and K. L. Han, J. Theor. Comput. Chem. 7, 607 (2008). 10.1142/S021963360800399X
- (2008) J. Theor. Comput. Chem. , vol.7 , pp. 607
- Ge, M.H.¹ Chu, T.S.² Han, K.L.³

12
- 61649105798
- 10.1016/j.cplett.2009.02.029
- M. Jorfi, P. Honvault, and P. Halvick, Chem. Phys. Lett. 471, 65 (2009). 10.1016/j.cplett.2009.02.029
- (2009) Chem. Phys. Lett. , vol.471 , pp. 65
- Jorfi, M.¹ Honvault, P.² Halvick, P.³

13
- 64349087889
- 10.1021/jp811237z
- M. Jorfi and P. Honvault, J. Phys. Chem. A 113, 2316 (2009). 10.1021/jp811237z
- (2009) J. Phys. Chem. A , vol.113 , pp. 2316
- Jorfi, M.¹ Honvault, P.²

14
- 69949132405
- 10.1063/1.3218843
- M. Jorfi, P. Honvault, and P. Halvick, J. Chem. Phys. 131, 094302 (2009). 10.1063/1.3218843
- (2009) J. Chem. Phys. , vol.131 , pp. 094302
- Jorfi, M.¹ Honvault, P.² Halvick, P.³

15
- 79957586549
- 10.1063/1.3592375
- A. Li, C. Xie, D. Xie, and H. Guo, J. Chem. Phys. 134, 194309 (2011). 10.1063/1.3592375
- (2011) J. Chem. Phys. , vol.134 , pp. 194309
- Li, A.¹ Xie, C.² Xie, D.³ Guo, H.⁴

16
- 0004918079
- 10.1016/0009-2614(80)80009-1
- M. J. Howard and I. W. M. Smith, Chem. Phys. Lett. 69, 40 (1980). 10.1016/0009-2614(80)80009-1
- (1980) Chem. Phys. Lett. , vol.69 , pp. 40
- Howard, M.J.¹ Smith, I.W.M.²

17
- 0000090259
- 10.1039/f29817700997
- M. J. Howard and I. W. M. Smith, J. Chem. Soc., Faraday Trans. 77, 997 (1981). 10.1039/f29817700997
- (1981) J. Chem. Soc., Faraday Trans. , vol.77 , pp. 997
- Howard, M.J.¹ Smith, I.W.M.²

18
- 0038684018
- 10.1063/1.464821
- I. W. M. Smith, R. P. Tuckett, and C. J. Whitham, J. Chem. Phys. 98, 6267 (1993). 10.1063/1.464821
- (1993) J. Chem. Phys. , vol.98 , pp. 6267
- Smith, I.W.M.¹ Tuckett, R.P.² Whitham, C.J.³

19
- 0000076049
- 10.1039/ft9949003221
- I. W. M. Smith and D. W. A. Stewart, J. Chem. Soc., Faraday Trans. 90, 3221 (1994). 10.1039/ft9949003221
- (1994) J. Chem. Soc., Faraday Trans. , vol.90 , pp. 3221
- Smith, I.W.M.¹ Stewart, D.W.A.²

20
- 0008650391
- 10.1063/1.469191
- R. Guadagnini, G. C. Schatz, and S. P. Walch, J. Chem. Phys. 102, 774 (1995). 10.1063/1.469191
- (1995) J. Chem. Phys. , vol.102 , pp. 774
- Guadagnini, R.¹ Schatz, G.C.² Walch, S.P.³

21
- 0013584855
- 10.1063/1.469192
- R. Guadagnini, G. C. Schatz, and S. P. Walch, J. Chem. Phys. 102, 784 (1995). 10.1063/1.469192
- (1995) J. Chem. Phys. , vol.102 , pp. 784
- Guadagnini, R.¹ Schatz, G.C.² Walch, S.P.³

22
- 0013615013
- 10.1063/1.449146
- M. C. Colton and G. C. Schatz, J. Chem. Phys. 83, 3413 (1985). 10.1063/1.449146
- (1985) J. Chem. Phys. , vol.83 , pp. 3413
- Colton, M.C.¹ Schatz, G.C.²

23
- 0037961691
- 10.1063/1.1560956
- M. D. Chen, B. Y. Thang, K. L. Han, N. Q. Lou, and J. Z. H. Zhang, J. Chem. Phys. 118, 6852 (2003). 10.1063/1.1560956
- (2003) J. Chem. Phys. , vol.118 , pp. 6852
- Chen, M.D.¹ Thang, B.Y.² Han, K.L.³ Lou, N.Q.⁴ Zhang, J.Z.H.⁵

24
- 34547159222
- Rate constant for OH (Π2) +O (P3) →h (S2) + O2 (g-3) reaction on an improved ab initio potential energy surface and implications for the interstellar oxygen problem
- DOI 10.1063/1.2753484
- C. Xu, D. Xie, P. Honvault, S. Y. Lin, and H. Guo, J. Chem. Phys. 127, 024304 (2007). 10.1063/1.2753484 (Pubitemid 47114641)
- (2007) Journal of Chemical Physics , vol.127 , Issue.2 , pp. 024304
- Xu, C.¹ Xie, D.² Honvault, P.³ Lin, S.Y.⁴ Guo, H.⁵

25
- 38049091444
- 10.1063/1.2812559
- S. Y. Lin, H. Guo, P. Honvault, C. Xu, and D. Xie, J. Chem. Phys. 128, 014303 (2008). 10.1063/1.2812559
- (2008) J. Chem. Phys. , vol.128 , pp. 014303
- Lin, S.Y.¹ Guo, H.² Honvault, P.³ Xu, C.⁴ Xie, D.⁵

26
- 49649095568
- 10.1016/j.cplett.2008.07.069
- M. Jorfi, P. Honvault, P. Halvick, S. Y. Lin, and H. Guo, Chem. Phys., Lett. 462, 53 (2008). 10.1016/j.cplett.2008.07.069
- (2008) Chem. Phys., Lett. , vol.462 , pp. 53
- Jorfi, M.¹ Honvault, P.² Halvick, P.³ Lin, S.Y.⁴ Guo, H.⁵

27
- 33750620934
- 2Π) reaction
- DOI 10.1016/j.cplett.2006.10.005, PII S0009261406014825
- D. Edvardsson, C. F. Williams, and D. C. Clary, Chem. Phys. Lett. 431, 261 (2006). 10.1016/j.cplett.2006.10.005 (Pubitemid 44692185)
- (2006) Chemical Physics Letters , vol.431 , Issue.4-6 , pp. 261-266
- Edvardsson, D.¹ Williams, C.F.² Clary, D.C.³

28
- 33746920831
- Coordinate transformation methods to calculate state-to-state reaction probabilities with wave packet treatments
- DOI 10.1063/1.2218337
- S. Gmez-Carrasco and O. Roncero, J. Chem. Phys. 125, 054102 (2006). 10.1063/1.2218337 (Pubitemid 44188392)
- (2006) Journal of Chemical Physics , vol.125 , Issue.5 , pp. 054102
- Gomez-Carrasco, S.¹ Roncero, O.²

29
- 73949091124
- 10.1021/jp9038946
- A. Zanchet, O. Roncero, T. Gonzlez-Lezana, A. Rodriguez-Lpez, A. Aguado, C. Sanz-Sanz, and S. Gmez-Carrasco, J. Phys. Chem. A 113, 14488 (2009). 10.1021/jp9038946
- (2009) J. Phys. Chem. A , vol.113 , pp. 14488
- Zanchet, A.¹ Roncero, O.² Gonzlez-Lezana, T.³ Rodriguez-Lpez, A.⁴ Aguado, A.⁵ Sanz-Sanz, C.⁶ Gmez-Carrasco, S.⁷

30
- 33748540487
- Intermolecular potentials of the methane dimer calculated with Møller-Plesset perturbation theory and density functional theory
- DOI 10.1063/1.2345198
- T. Gonzlez-Lezana, O. Roncero, P. Honvault, J.-M. Launay, N. Bulut, F. J. Aoiz, and L. Baares, J. Chem. Phys. 125, 094312 (2006). 10.1063/1.2345198 (Pubitemid 44370716)
- (2006) Journal of Chemical Physics , vol.125 , Issue.9 , pp. 094312
- Li, A.H.-T.¹ Chao, S.D.²

31
- 38049066993
- 10.1063/1.2812555
- E. C. Novillo, T. Gonzlez-Lezana, O. Roncero, P. Honvault, J.-M. Launay, N. Bulut, F. J. Aoiz, L. Baares, A. Trottier, and E. Wrede, J. Chem. Phys. 128, 014304 (2008). 10.1063/1.2812555
- (2008) J. Chem. Phys. , vol.128 , pp. 014304
- Novillo, E.C.¹ Gonzlez-Lezana, T.² Roncero, O.³ Honvault, P.⁴ Launay, J.-M.⁵ Bulut, N.⁶ Aoiz, F.J.⁷ Baares, L.⁸ Trottier, A.⁹ Wrede, E.¹⁰

32
- 0000351266
- 10.1002/SERIES2007
- J. M. Bowman, Adv. Chem. Phys. 61, 115 (1985). 10.1002/SERIES2007
- (1985) Adv. Chem. Phys. , vol.61 , pp. 115
- Bowman, J.M.¹

33
- 36849102028
- 10.1063/1.1726760
- P. Pechukas, J. C. Light, and C. Rankin, J. Chem. Phys. 44, 794 (1966). 10.1063/1.1726760
- (1966) J. Chem. Phys. , vol.44 , pp. 794
- Pechukas, P.¹ Light, J.C.² Rankin, C.³

34
- 0000446146
- 10.1063/1.1673020
- W. H. Miller, J. Chem. Phys. 52, 543 (1970). 10.1063/1.1673020
- (1970) J. Chem. Phys. , vol.52 , pp. 543
- Miller, W.H.¹

35
- 0942279147
- 10.1063/1.1628218
- E. J. Rackham, T. Gonzalez-Lezana, and D. E. Manolopoulos, J. Chem. Phys. 119, 12895 (2003). 10.1063/1.1628218
- (2003) J. Chem. Phys. , vol.119 , pp. 12895
- Rackham, E.J.¹ Gonzalez-Lezana, T.² Manolopoulos, D.E.³

36
- 0000613639
- 10.1021/j100245a034
- W. H. Brune, J. J. Schwab, and J. G. Anderson, J. Phys. Chem. 87, 4503 (1983). 10.1021/j100245a034
- (1983) J. Phys. Chem. , vol.87 , pp. 4503
- Brune, W.H.¹ Schwab, J.J.² Anderson, J.G.³

37
- 34247591994
- A statistical quasiclassical trajectory model for atom-diatom insertion reactions
- DOI 10.1063/1.2723067
- F. J. Aoiz, V. Saez Rabanos, T. Gonzalez-Lezana, and D. E. Manolopoulos, J. Chem. Phys. 126, 161101 (2007). 10.1063/1.2723067 (Pubitemid 46685430)
- (2007) Journal of Chemical Physics , vol.126 , Issue.16 , pp. 161101
- Aoiz, F.J.¹ Rabanos, V.S.² Gonzalez-Lezana, T.³ Manolopoulos, D.E.⁴

38
- 49749088769
- 10.1063/1.2957901
- J. A. Kos, F. Lique, M. H. Alexander, and P. J. Dagdigian, J. Chem. Phys. 129, 064306 (2008). 10.1063/1.2957901
- (2008) J. Chem. Phys. , vol.129 , pp. 064306
- Kos, J.A.¹ Lique, F.² Alexander, M.H.³ Dagdigian, P.J.⁴

39
- 72449149660
- 10.1063/1.3274226
- F. Lique, M. Jorfi, P. Honvault, P. Halvick, S. Y. Lin, H. Guo, D. Q. Xie, P. J. Dagdigian, J. Kos, and M. H. Alexander J. Chem. Phys. 131, 221104 (2009). 10.1063/1.3274226
- (2009) J. Chem. Phys. , vol.131 , pp. 221104
- Lique, F.¹ Jorfi, M.² Honvault, P.³ Halvick, P.⁴ Lin, S.Y.⁵ Guo, H.⁶ Xie, D.Q.⁷ Dagdigian, P.J.⁸ Kos, J.⁹ Alexander, M.H.¹⁰

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