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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Ab-initio calculation of the ground and excited states of MgH using a pseudopotential approachMestdagh, J.-M. ; de Pujo, P. ; Soep, B. ; Spiegelman, F.Chemical physics letters, 2009-03, Vol.471 (1), p.22-28 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
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2 |
Material Type: Artigo
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Ab initio calculations of the 13C magnetic hyperfine parameters in C +2 using numerical and Gaussian basis set methodsBeck, Sullivan N. ; McCullough, E.A. ; Feller, DavidChemical physics letters, 1990-12, Vol.175 (6), p.629-632 [Periódico revisado por pares]Amsterdam: Elsevier B.VTexto completo disponível |
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3 |
Material Type: Artigo
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Ab initio configuration interaction study of the electronic spectrum of SiHSannigrahi, Abani B. ; Buenker, Robert J. ; Hirsch, Gerhard ; Gu, Jian-pingChemical physics letters, 1995-05, Vol.237 (3), p.204-211 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
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4 |
Material Type: Artigo
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Ab initio configuration interaction study of the low-lying electronic states of InFBanerjee, Amartya ; Pramanik, Anup ; Das, Kalyan KumarChemical physics letters, 2006-09, Vol.429 (1), p.62-67 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
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5 |
Material Type: Artigo
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Ab initio investigation of the electronic spectrum of the chloroformyl radical ClCOKrossner, Th ; Zülicke, L. ; Staikova, M. ; Peyerimhoff, S.D.Chemical physics letters, 1995-08, Vol.241 (5), p.511-515 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
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6 |
Material Type: Artigo
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ABINITIO EFFECTIVE HAMILTONIAN CALCULATIONS ON THE VALENCE STATES OF SH AND SHPARK, JK ; SUN, HChemical physics letters, 1992-07, Vol.194 (4-6), p.485-491 [Periódico revisado por pares]AMSTERDAM: ElsevierTexto completo disponível |
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7 |
Material Type: Artigo
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ABINITIO MO STUDY OF NEUTRAL AND CATIONIC BORON CLUSTERSKATO, H ; YAMASHITA, K ; MOROKUMA, KChemical physics letters, 1992-03, Vol.190 (3-4), p.361-366 [Periódico revisado por pares]AMSTERDAM: ElsevierTexto completo disponível |
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8 |
Material Type: Artigo
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All-valence-electron CI study of the ground and lowest excited states of the hydroperoxyl radicalBuenker, Robert J. ; Peyerimhoff, Sigrid D.Chemical physics letters, 1976-01, Vol.37 (2), p.208-211 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
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9 |
Material Type: Artigo
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An ab initio CI study of the lowest electronic states of the HPF moleculeSchürmann, Britta L. ; Knowles, David B. ; Hirsch, Gerhard ; Buenker, Robert J.Chemical physics letters, 1988-04, Vol.145 (6), p.529-536 [Periódico revisado por pares]Amsterdam: Elsevier B.VTexto completo disponível |
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10 |
Material Type: Artigo
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An ab initio study of the transition moments, transition probabilities, and radiative lifetimes of the quartet states of the BeN moleculeRoberto-Neto, Orlando ; Ornellas, Fernando R.Chemical physics letters, 1994-08, Vol.226 (5), p.463-468 [Periódico revisado por pares]Amsterdam: Elsevier B.VTexto completo disponível |