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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 65, 1988 - Issue 3
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Original Articles

Computed transport coefficients for van der Waals systems via realistic interactions

I. The N2 molecule with He, Ne and Ar

F.A. Gianturco Department of Chemistry, University of Rome, Città Universitaria, 00185, Rome, Italy
,
M. Venanzi Department of Chemistry, University of Rome, Città Universitaria, 00185, Rome, Italy
&
A.S. Dickinson Department of Physics, The University, Newcastle upon Tyne, NE1 7RU, England
Pages 563-584 | Received 03 May 1988, Accepted 01 Jun 1988, Published online: 22 Aug 2006

Citations (38)

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ASHOKK. DHAM & WILLIAMJ. MEATH. (2001) Exchange-Coulomb potential energy surfaces and related physical properties for Ne-N2 . Molecular Physics 99:12, pages 991-1004.
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F. A. GIANTURCO, F. PAESANI, M. F. LARANJEIRA, V. VASSILENKO, M. A. CUNHA, A. G. SHASHKOV & A. F. ZOLOTOUKHINA. (1998) Computed and measured transport coefficients for CO-He mixtures: testing a density functional approach. Molecular Physics 94:4, pages 605-622.
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E. L. HECK & A. S. DICKINSON. (1997) Transport properties of He-CO mixtures. Molecular Physics 91:1, pages 31-46.
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ASHOK K. DHAM. (1996) Multi-property predictions from recent He-CO potential energy surfaces and related comments on the nature of heteronuclear-rare gas interactions. Molecular Physics 88:2, pages 339-353.
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F.A. Gianturco, N. Sanna & S. Serna-Molinera. (1994) An improved He-CO interaction potential from a multiproperty analysis. Molecular Physics 81:2, pages 421-446.
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F.A. Gianturco, N. Sanna & S. Serna. (1993) Dynamical decoupling in the calculations of transport coefficients. Molecular Physics 78:4, pages 1015-1038.
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Clement C.K. Wong, Frederick R.W. McCourt & GregoryC. Corey. (1993) Classical trajectory calculation of transport and relaxation properties of O2-He, Ne mixtures. Molecular Physics 78:3, pages 499-531.
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V. Vesovic & W.A. Wakeham. (1992) Transport cross-sections for polyatomic gases. International Reviews in Physical Chemistry 11:1, pages 161-194.
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F.A. Gianturco, S. Serna & N. Sanna. (1991) Dynamical decoupling in the quantum calculations of transport coefficients. Molecular Physics 74:5, pages 1071-1087.
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FrederickR.W. McCourt, Velisa Vesovic, WilliamA. Wakeham, AlanS. Dickinson & Merih Mustafa. (1991) Quantum mechanical calculations of effective collision cross-sections for He-N2 interaction. Molecular Physics 72:6, pages 1347-1364.
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A.S. Dickinson & E.L. Heck. (1990) Transport and relaxation cross-sections for He-N2 mixtures. Molecular Physics 70:2, pages 239-252.
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ClementC.K. Wong, FrederickR.W. McCourt & AlanS. Dickinson. (1989) A comparison between classical trajectory and infinite-order sudden calculations of transport and relaxation cross sections for N2-Ne mixtures. Molecular Physics 66:6, pages 1235-1260.
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F.A. Gianturco, M. Venanzi & A.S. Dickinson. (1988) Computed transport coefficients for van der Waals systems via realistic interactions. Molecular Physics 65:3, pages 585-598.
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Articles from other publishers (25)

Ashok K. Dham, William J. Meath, Jason W. Jechow & Frederick R. W. McCourt. (2006) New exchange-Coulomb N2–Ar potential-energy surface and its comparison with other recent N2–Ar potential-energy surfaces. The Journal of Chemical Physics 124:3.
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F. J. Aoiz, L. Bañares, V. J. Herrero, B. Martínez-Haya, M. Menéndez, P. Quintana, I. Tanarro & E. Verdasco. (2001) Low-Temperature Rotational Relaxation of N 2 in Collisions with Ne . The Journal of Physical Chemistry A 105:29, pages 6976-6982.
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J.C. Belchior & J.P. Braga. (2000) Calculation of three dimensional cross-sections for the Ar–N2 system from two-dimensional coupled equations plus a three-dimensional boundary condition. Chemical Physics Letters 332:1-2, pages 159-166.
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Mohsen Najafi & Behzad Haghighi. (2000) Direct Calculation of the Intermolecular Interaction Potential from the Extended Principle of Corresponding States for N 2 –He . Physica Scripta 61:1, pages 97-101.
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F.A. Gianturco, S. Serna & A.V. Storozhev. (1997) Quantum calculations of transport properties in molecular gases. Computer Physics Communications 103:2-3, pages 251-276.
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K. Vatter, H. J. Schmidt, E. Elias & B. Schramm. (2010) Measurements of Interaction Second Virial Coefficients of Binary Mixtures of Inert Gases and Gases. Berichte der Bunsengesellschaft für physikalische Chemie 100:1, pages 73-79.
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W. L. T. Chen, J. Heberlein, E. Pfender, B. Pateyron, G. Delluc, M. F. Elchinger & P. Fauchais. (1995) Thermodynamic and Transport Properties of Argon/Helium Plasmas at Atmospheric Pressure. Plasma Chemistry and Plasma Processing 15:3, pages 559-579.
Crossref
Ashok K. Dham & William J. Meath. (1995) Exchange-Coulomb potential energy surfaces, and related physical properties, for KrN2. Chemical Physics 196:1-2, pages 125-138.
Crossref
F.A. Gianturco & T. Storozhev. (1995) An improved ArN2 interaction from a global optimization to additional scattering data. Chemical Physics Letters 233:1-2, pages 154-160.
Crossref
F. A. Gianturco & S. Serna. (1994) Approximate calculations of transport properties for the He–CH4 system. The Journal of Chemical Physics 100:6, pages 4316-4323.
Crossref
L. Beneventi, P. Casavecchia, G. G. Volpi, C. C. K. Wong & F. R. W. McCourt. (1993) Multiproperty determination of a new N2–Ar intermolecular interaction potential energy surface. The Journal of Chemical Physics 98:10, pages 7926-7939.
Crossref
F. A. Gianturco, N. Sanna & S. Serna. (1992) Transport and relaxation cross sections for He–N2 mixtures: A test of a multiproperty interaction. The Journal of Chemical Physics 97:9, pages 6720-6729.
Crossref
F.A. Gianturco, A. Palma & N. Sanna. (1991) The HeN2 interaction revisited: A comparison of measured and computed differential cross sections. Chemical Physics 158:1, pages 77-87.
Crossref
L. Beneventi, P. Casavecchia, G. G. Volpi, C. C. K. Wong, F. R. W. McCourt, G. C. Corey & D. Lemoine. (1991) On the N2–He potential energy surface. The Journal of Chemical Physics 95:8, pages 5827-5845.
Crossref
Mark Thachuk & Frederick R. W. McCourt. (1991) Use of corrected centrifugal sudden approximations for the calculation of effective cross sections. II. The N2–He system. The Journal of Chemical Physics 95:6, pages 4112-4129.
Crossref
F. A. Gianturco, M. Venanzi & A. S. Dickinson. (1990) Classical trajectory calculations of transport and relaxation properties for Ar–N2 mixtures. The Journal of Chemical Physics 93:8, pages 5552-5562.
Crossref
Clement C. K. Wong, Frederick R. W. McCourt & Piergiorgio Casavecchia. (1990) Classical trajectory calculation of transport and relaxation properties for N2–Ne mixtures. The Journal of Chemical Physics 93:7, pages 4699-4712.
Crossref
Mark Thachuk & Frederick R. W. McCourt. (1990) Use of the corrected centrifugal sudden approximation for the calculation of effective cross sections. I. The H2–He system. The Journal of Chemical Physics 93:6, pages 3931-3949.
Crossref
F. A. Gianturco, J. P. Toennies, M. Bernardi & M. Venanzi. (1990) The He–Co2 interaction revisited: Approximate rotational energy transfer efficiency indices and computed transport coefficients. The Journal of Chemical Physics 93:3, pages 1641-1651.
Crossref
J. N. L. Connor, Hosung Sun & Jeremy M. Hutson. (1990) Exact and approximate calculations for the effect of potential anisotropy on integral and differential cross-sections: Ar–N 2 rotationally inelastic scattering . J. Chem. Soc., Faraday Trans. 86:10, pages 1649-1657.
Crossref
F.A. Gianturco, M. Bernardi & M. Venanzi. (1990) Accuracy of the IOS approximation for highly inelastic RET collisions. Chemical Physics Letters 165:4, pages 344-350.
Crossref
F. A. Gianturco & M. Venanzi. (1989) Second virial coefficients for O2 and N2 mixtures with rare gases: A computational assessment. The Journal of Chemical Physics 91:9, pages 5352-5358.
Crossref
F. A. Gianturco & M. Venanzi. (1989) Second-order corrections to transport coefficients of binary gaseous mixtures: N2 with He, Ne, and Ar. The Journal of Chemical Physics 91:4, pages 2525-2536.
Crossref
K.-E. Thylwe & J. N. L. Connor. (1989) Complex angular momentum analysis of rotationally inelastic diffraction scattering in sudden atom-homonuclear–molecule collisions. The Journal of Chemical Physics 91:3, pages 1668-1687.
Crossref
F. A. Gianturco, M. Venanzi & M. Faubel. (1989) A test of recently proposed He–N2 interactions: Angular distributions and rotationally inelastic collisions. The Journal of Chemical Physics 90:5, pages 2639-2650.
Crossref

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