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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 50, 1983 - Issue 4
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Original Articles

Quasi-classical dynamics on the ground state surface of H2O

L.J. Dunne School of Chemistry and Molecular Sciences, University of Sussex, Brighton, Sussex, BN1 9QJ, England
&
J.N. Murrell School of Chemistry and Molecular Sciences, University of Sussex, Brighton, Sussex, BN1 9QJ, England
Pages 635-644 | Received 09 Jun 1983, Accepted 22 Jun 1983, Published online: 23 Aug 2006

Citations (31)

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Carolina M. A. Rio & Joao Brandao. (2007) Dynamical studies and product analysis of O(1D) + H2/D2 reactions. Molecular Physics 105:4, pages 359-373.
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HowardR. Mayne. (1991) Classical trajectory calculations on gas-phase reactive collisions. International Reviews in Physical Chemistry 10:1, pages 107-121.
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L.J. Dunne, H. Guo & J.N. Murrell. (1987) The role of the [Btilde]-[Xtilde] conical intersection in the photodissociation of water. Molecular Physics 62:2, pages 283-294.
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Articles from other publishers (28)

K. Birgitta WhaleyPaul J. Dagdigian & Millard H. Alexander. 2018. Advances in Chemical Physics. Advances in Chemical Physics 1 43 .
Xiaohu Li, Carina Arasa, Marc C. van Hemert & Ewine F. van Dishoeck. (2013) Effects of Reagent Rotation and Vibration on H + OH (υ, j )→ O + H 2 . The Journal of Physical Chemistry A 117:48, pages 12889-12896.
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Wenli Wang, Emanuel Santos & João Brandão. (2006) Theoretical rate coefficients for the exchange reaction OH+D→OD+H. The Journal of Chemical Physics 124:7.
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Sule Atahan, Millard H. Alexander & Edward J. Rackham. (2005) Cross sections and thermal rate constants for the isotope exchange reaction: D(S2)+OH(Π2)→OD(Π2)+H(S2). The Journal of Chemical Physics 123:20.
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Lawrence J. Dunne, John N. Murrell & Patrick Jemmer. (2001) Analytical potential energy surface and quasi-classical dynamics for the reaction LiH(X,1Σ+)+H(2S)→Li(2S)+H2(X,1Σ+g). Chemical Physics Letters 336:1-2, pages 1-6.
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Musahid Ahmed, Darcy S Peterka & Arthur G Suits. (1999) Crossed-beam reaction of O(1D)+D2→OD+D by velocity map imaging. Chemical Physics Letters 301:3-4, pages 372-378.
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A. J. C. Varandas, A. I. Voronin & P. J. S. B. Caridade. (1998) Energy switching approach to potential surfaces. III. Three-valued function for the water molecule. The Journal of Chemical Physics 108:18, pages 7623-7630.
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A.J.C. Varandas, A.I. Voronin, A. Riganelli & P.J.S.B. Caridade. (1997) Cross sections and rate constants for the O(1D) + H2 reaction using a single-valued energy-switching potential energy surface. Chemical Physics Letters 278:4-6, pages 325-332.
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A. J. C. Varandas. (1997) Energy switching approach to potential surfaces. II. Two-valued function for the water molecule. The Journal of Chemical Physics 107:3, pages 867-878.
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Tong Peng, Dong H. Zhang, John Z.H. Zhang & Reinhard Schinke. (1996) Reaction of () + → + . A three-dimensional quantum dynamics study. Chemical Physics Letters 248:1-2, pages 37-42.
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Klaus Mikulecky & Karl-Heinz Gericke. (1993) Reaction dynamics of vibrationally excited H2. Chemical Physics 175:1, pages 13-21.
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Klaus Mikulecky & Karl-Heinz Gericke. (1992) The influence of vibrational and translational motion on the reaction dynamics of O(1 D )+H2(1Σ+ g , v ) . The Journal of Chemical Physics 96:10, pages 7490-7499.
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Chan Ryang Park & John R. Wiesenfeld. (1991) Full characterization of OH product energetics in the reaction of O(1 D 2) with hydrocarbons . The Journal of Chemical Physics 95:11, pages 8166-8177.
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P.J. Kuntz, B.I. Niefer & J.J. Sloan. (1991) A multisurface classical trajectory study of the dynamics of the reaction O(1D2)+H2→OH(ν′,J′,T′, Θ′)+H using the diatomics-in-molecules method. Chemical Physics 151:1, pages 77-93.
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Evelyn M. Goldfield & John R. Wiesenfeld. (1990) Trajectory studies of OH vibrational excitation propensities in the reaction of O(1 D ) with H2 . The Journal of Chemical Physics 93:2, pages 1030-1040.
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George C. Schatz. (1989) The analytical representation of electronic potential-energy surfaces. Reviews of Modern Physics 61:3, pages 669-688.
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Jay K. Badenhoop, Hiroyasu Koizumi & George C. Schatz. (1989) A reduced dimensionality quantum reactive scattering study of the insertion reaction O(1 D )+H2→OH+H . The Journal of Chemical Physics 91:1, pages 142-149.
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Lawrence J. Dunne. (1989) Quasiclassical dynamical study of the reaction O(1D)+HD(1Σ+)→OD/OH(2Π)+H/D(2S) on a two-valued potential energy surface. Chemical Physics Letters 158:6, pages 535-539.
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Daiqian Xie & Auchin Tang. (1988) A Theoretical study of barriers for the reaction O(1D2)+H2→OH(2Π)+H. Chemical Physics Letters 146:1-2, pages 151-154.
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P. J. Kuntz, B. I. Niefer & J. J. Sloan. (1988) A multisurface DIM trajectory study of the reaction: O(1 D g )+H2( X  1Σ+ g )→OH( X  2Π)+H(2 S ) . The Journal of Chemical Physics 88:6, pages 3629-3637.
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J. J. Sloan, E. J. Kruus & B. I. Niefer. 1988. Selectivity in Chemical Reactions. Selectivity in Chemical Reactions 117 133 .
L.J. Dunne & N.L. Bourner. (1987) Molecular graphics and the classical adiabatic and nonadiabatic dynamics of small polyatomic reactions. Journal of Molecular Graphics 5:3, pages 129-132.
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Cheryl B. Cleveland, Gregory M. Jursich, Michael Trolier & John R. Wiesenfeld. (1987) Dynamics of the reaction O(1 D 2)+H2→OH( X  2Π, v ″=2,3)+H: Full characterization of product energetics . The Journal of Chemical Physics 86:6, pages 3253-3262.
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P.M. Aker, J.J. Sloan & J.S. Wright. (1986) The effect of reagent translational energy in the reaction O(1D2) + H2 → OH(2Π) + H. Chemical Physics 110:2-3, pages 275-286.
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P. M. Aker & J. J. Sloan. (1986) The initial product vibrational energy distribution in the reaction between O(1 D 2) and H2 . The Journal of Chemical Physics 85:3, pages 1412-1417.
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J. E. Butler, G. M. Jursich, I. A. Watson & J. R. Wiesenfeld. (1986) Reaction dynamics of O(1 D 2)+H2, HD, D2: OH, OD( X  2Π i ) product internal energy distributions . The Journal of Chemical Physics 84:10, pages 5365-5377.
Crossref
Gerard Durand & Xavier Chapuisat. (1985) An ab initio description of the excited states of the reaction O(3P, 1D) + H2 → OH(2Π, 2Σ+) + H. An attempt to describe several potential energy surfaces with constant accuracy. Chemical Physics 96:3, pages 381-407.
Crossref
L.J. Dunne, J.N. Murrell & J.G. Stamper. (1984) Classical trajectories for non-adiabatic molecular collisions. Chemical Physics Letters 112:6, pages 497-501.
Crossref

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