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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 83, 1994 - Issue 1
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Original Articles

Spin coupled valence bond theory of van der Waals systems: application to LiH … He

Manuel A. Matías Dipartimento di Chimica Fisica ed Elettrochimica e Centro del C.N.R. per lo Studio della Relazioni tra la Struttura e la Reattività Chimica, Università di Milano, Via Golgi 19, 20133, Milano, Italy; Departamento de Química Física, Universidad de Salamanca, 37008, Salamanca, Spain
,
Mario Raimondi Dipartimento di Chimica Fisica ed Elettrochimica e Centro del C.N.R. per lo Studio della Relazioni tra la Struttura e la Reattività Chimica, Università di Milano, Via Golgi 19, 20133, Milano, Italy
,
Elena Tornaghi Dipartimento di Chimica Fisica ed Elettrochimica e Centro del C.N.R. per lo Studio della Relazioni tra la Struttura e la Reattività Chimica, Università di Milano, Via Golgi 19, 20133, Milano, Italy
,
David L. Cooper Department of Chemistry, University of Liverpool, P.O. Box 147, Liverpool, L69 3BX, UK
&
Joseph Gerratt School of Chemistry, University of Bristol, Cantocks Close, Bristol, BS8 1TS, UK
Pages 89-100 | Received 17 Jan 1994, Accepted 25 Apr 1994, Published online: 22 Aug 2006

Citations (15)

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Read on this site (2)

J.H. Van Lenthe & F. Dijkstra. (1999) The interacting correlated fragments method with non-orthogonal orbitals. Molecular Physics 96:4, pages 555-558.
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DavidL. Cooper, Thorstein Thorsteinsson, Mario Raimondi & Joseph Gerratt. (1996) A modern valence bond approach for interatomic potentials. Philosophical Magazine B 73:1, pages 175-189.
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Articles from other publishers (13)

Robert Ponec & David L. Cooper. (2005) Anatomy of bond formation. Bond length dependence of the extent of electron sharing in chemical bonds. Journal of Molecular Structure: THEOCHEM 727:1-3, pages 133-138.
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Ben T. Chang, Omololu Akin-Ojo, Robert Bukowski & Krzysztof Szalewicz. (2003) Potential energy surface and rovibrational spectrum of He–N2O dimer. The Journal of Chemical Physics 119:22, pages 11654-11670.
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Roberto Specchio, Antonino Famulari & Mario Raimondi. (2001) Ab initio study of helium dimer. Journal of Molecular Structure: THEOCHEM 549:1-2, pages 77-83.
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E. Bodo, F. A. Gianturco, R. Martinazzo, F. Paesani & M. Raimondi. (2000) Testing van der Waals interactions with quantum dynamics: Repulsive anisotropy and well depth in the LiH+He system. The Journal of Chemical Physics 113:24, pages 11071-11078.
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Yuhui Lu, Daiqian Xie, Minghui Yang & Guosen Yan. (2000) An ab initio potential energy surface of Ne–LiH. Chemical Physics Letters 327:5-6, pages 305-313.
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A. Forni. (1999) Rotationally inelastic collisions of LiH with He: a quasi-classical dynamics study. Journal of Molecular Structure: THEOCHEM 468:1-2, pages 73-83.
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Mario Raimondi & David L. Cooper. 1999. Correlation and Localization. Correlation and Localization 105 120 .
Guosen Yan, Minghui Yang & Daiqian Xie. (1998) Ab initio potential energy surface and rovibrational spectra of He–CO2 . The Journal of Chemical Physics 109:23, pages 10284-10292.
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E. Bodo, S. Kumar, F. A. Gianturco, A. Famulari, M. Raimondi & M. Sironi. (1998) Vibrational Heating Efficiency of LiH Molecules in Collision with He Atoms. The Journal of Physical Chemistry A 102:47, pages 9390-9398.
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E Bodo, E Buonomo, F.A Gianturco, S Kumar, A Famulari, M Raimondi & M Sironi. (1998) Interaction anisotropy and quantum dynamics for vibrationally inelastic collisions of LiH(1Σ) with He(1S). Chemical Physics 237:3, pages 315-331.
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Guosen Yan, Minghui Yang & Daiqian Xie. (1997) Ab initio intermolecular potential energy surface of He-LiH. Science in China Series B: Chemistry 40:5, pages 554-560.
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F.A. Gianturco, Sanjay Kumar, Shashi K. Pathak, M. Raimondi, M. Sironi, J. Gerratt & D.L. Cooper. (1997) Interaction forces and energy transfer dynamics of LiH (1gE+) and helium atoms. I. The ab initio evaluation of the lowest potential energy surface. Chemical Physics 215:2, pages 227-238.
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M. Raimondi, M. Sironi, J. Gerratt & D. L. Cooper. (1996) Optimized spin-coupled virtual orbitals. International Journal of Quantum Chemistry 60:1, pages 225-233.
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