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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 53, 1984 - Issue 3
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Original Articles

Semiempirical calculation of the interaction energy of a CH4 molecule and a Na+ cation

E. Mouche Laboratoire Léon Brillouin, CEN-Saclay, 91191, Gif sur Yvette, Cedex, France
,
E. Cohen de Lara Service de Spectroscopie en Milieu Condensé, Laboratoire de Recherches Physiques, Université Pierre et Marie Curie, 4 Place Jussieu, Tour 22, 75230, Paris, Cedex, France
&
R. Kahn Service de Spectroscopie en Milieu Condensé, Laboratoire de Recherches Physiques, Université Pierre et Marie Curie, 4 Place Jussieu, Tour 22, 75230, Paris, Cedex, France
Pages 749-759 | Received 12 Jan 1984, Accepted 18 Apr 1984, Published online: 22 Aug 2006

Citations (9)

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Read on this site (2)

P. DEMONTIS & G. B. SUFFRITTI. (1997) A molecular dynamics study of diffusion of methane in partially dealuminated zeolite Na A. Molecular Physics 91:4, pages 669-680.
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GiuseppeB. Suffritti & Aldo Gamba. (1987) Theoretical studies on zeolites. International Reviews in Physical Chemistry 6:4, pages 299-314.
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Articles from other publishers (7)

Josep Martí, Agustí Lledós, Juan Bertrán & Miquel Duran. (2004) Vibrational Stark effect: Theoretical determination through the semiempirical AM1 method. Journal of Computational Chemistry 13:7, pages 821-829.
Crossref
Horst Förster. 1992. Spectroscopic and Computational Studies of Supramolecular Systems. Spectroscopic and Computational Studies of Supramolecular Systems 29 60 .
E. Cohen De Lara, R. Kahn & A. M. Goulay. (1989) Molecular dynamics by numerical simulation in zeolites: Methane in NaA. The Journal of Chemical Physics 90:12, pages 7482-7491.
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Frank E. Budenholzer, Eric A. Gislason & Andrew D. Jorgensen. (1986) Determination of potassium ion-small-molecule potentials from total cross section measurements. Chemical Physics 110:1, pages 171-186.
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R. Kahn, E. Cohen De Lara & K. D. Möller. (1985) Effect of an electric field on a methane molecule. II. Calculation of the degeneracy splitting of the ν3 band. Expression of the second derivatives of the CH4 dipole moment and evaluation of the second derivative of the C–H bond polarizability. The Journal of Chemical Physics 83:6, pages 2653-2660.
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E. Cohen De Lara, R. Kahn & R. Seloudoux. (1985) Effect of an electric field on a methane molecule. I. Infrared analysis of methane (CH4–CD4) adsorbed in NaA zeolite in the temperature range 150–20 K. The Journal of Chemical Physics 83:6, pages 2646-2652.
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Evelyne Cohen De Lara & Josette Vincent-Geisse. 1985. Phenomena Induced by Intermolecular Interactions. Phenomena Induced by Intermolecular Interactions 589 594 .

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