Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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1 |
Material Type: Artigo
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Theoretical calculation of experimentally observable consequences of the geometric phase on chemical reaction cross sectionsMark Wu, Yi-Shuen ; Kuppermann, Aron ; Lepetit, B.Chemical physics letters, 1991-11, Vol.186 (4), p.319-328 [Periódico revisado por pares]Amsterdam: Elsevier B.VTexto completo disponível |
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2 |
Material Type: Artigo
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Calculation of bound rovibrational states on the first electronically excited state of the H3 systemLEPETIT, B ; PENG, Z ; KUPPERMANN, AChemical physics letters, 1990-03, Vol.166 (5-6), p.572-580 [Periódico revisado por pares]Amsterdam: Elsevier ScienceTexto completo disponível |
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3 |
Material Type: Artigo
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Origins of the poor convergence of many-body perturbation theory expansions from unrestricted Hartree-Fock zeroth-order descriptionsLEPETIT, M. B ; PELISSIER, M ; MALRIEV, J. PThe Journal of chemical physics, 1988-07, Vol.89 (2), p.998-1008 [Periódico revisado por pares]Woodbury, NY: American Institute of PhysicsTexto completo disponível |
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4 |
Material Type: Artigo
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Bulk properties from finite-cluster calculations. VI, A finite-size perturbation theory for the Hartree-Fock energy of linear oligomersCIOSLOWSKI, J ; LEPETIT, M. BThe Journal of chemical physics, 1991-09, Vol.95 (5), p.3536-3548 [Periódico revisado por pares]Woodbury, NY: American Institute of PhysicsTexto completo disponível |
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5 |
Material Type: Artigo
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Valence bond formulation of Hartree-Fock instability conditions for simple and multiple bondsLepetit, M.B. ; Malrieu, J.P. ; Trinquier, G.Chemical physics, 1989-02, Vol.130 (1-3), p.229-239 [Periódico revisado por pares]Amsterdam: Elsevier B.VTexto completo disponível |
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6 |
Material Type: Artigo
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A self-consistent, non-divergent evaluation of second-order correlation energiesLepetit, Marie-Bernadette ; Malrieu, Jean-PaulChemical physics letters, 1993-06, Vol.208 (5), p.503-510 [Periódico revisado por pares]Amsterdam: Elsevier B.VTexto completo disponível |
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7 |
Material Type: Artigo
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Bistable mixed-valence molecular architectures for bit storageGuihery, Nathalie ; Durand, Gérard ; Lepetit, Marie-BernadetteChemical physics, 1994-05, Vol.183 (1), p.45-59 [Periódico revisado por pares]Amsterdam: Elsevier B.VTexto completo disponível |
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8 |
Material Type: Artigo
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Discontinuity of valence CASSCF wave functions around weakly avoided crossing between valence configurationsSanchez de Meras, Alfredo ; Lepetit, Marie-Bernadette ; Malrieu, Jean-PaulChemical physics letters, 1990-08, Vol.172 (2), p.163-168 [Periódico revisado por pares]Amsterdam: Elsevier B.VTexto completo disponível |
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9 |
Material Type: Artigo
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Bistability in molecular donor—acceptor complexesGuihery, Nathalie ; Durand, Gérard ; Lepetit, Marie-Bernadette ; Malrieu, Jean-PaulChemical physics, 1994-05, Vol.183 (1), p.61-72 [Periódico revisado por pares]Amsterdam: Elsevier B.VTexto completo disponível |
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10 |
Material Type: Artigo
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Quantum mechanical study of the reactiuon He=H2+ → HeH+ + H with hyperspherical coordinatesLEPETIT, B ; LAUNAY, J. MThe Journal of chemical physics, 1991, Vol.95 (7), p.5159-5168 [Periódico revisado por pares]Woodbury, NY: American Institute of PhysicsTexto completo disponível |