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 TitleAuthors / EditorsDate
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A density functional investigation of the ground- and excited-state properties of ruthenocene Daul, Claude; Güdel, Hans-Ulrich; Weber, Jacques 1993
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The shape of the ground and lowest two excited states of H2NO Ricca, Alessandra; Weber, Jacques; Hanus, Marc; Ellinger, Yves 1995
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Density-functional investigation of the excited state properties and the Jahn-Teller effect in [CrX6]3- (X=Cl,Br) Bellafrouh, Khalid; Daul, Claude; Güdel, Hans-Ulrich; Gilardoni, François; Weber, Jacques 1995
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Excited state properties of Cr3+ in Cs2NaYCl6 and Cs2NaYBr6 : A density functional study Gilardoni, François; Weber, Jacques; Bellafrouh, Khalid; Daul, Claude; Güdel, Hans-Ulrich 1996
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A comparison of ground- and excited-state properties of gas phase and crystalline ruthenocene using density functional theory Gilardoni, François; Weber, Jacques; Hauser, Andreas; Daul, Claude 1998
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Comment on: "Prediction of Electronic Excited States of Adsorbates on Metal Surfaces from First Principles" Phys. Rev. Lett., vol. 86 (2001) p.5954 by Kluener et al. Wesolowski, Tomasz Adam 2002
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Nonequilibrium charge recombination from the excited adiabatic state of donor-acceptor complexes Mikhailova, Valentina A.; Ivanov, Anatoly I.; Vauthey, Eric 2004
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The gas-phase chemiionization reaction between samarium and oxygen atoms: A theoretical study Paulovic, Jozef; Gagliardi, Laura; Dyke, John M.; Hirao, Kimihiko 2004
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Comparison of density functionals for energy and structural differences between the high- [5T2g: (t2g)4(eg)2] and low- [1A1g: (t2g)6(eg)0] spin states of the hexaquoferrous cation [Fe(H2O)6]2+ Fouqueau, Antony; Mer, Sébastien; Casida, Mark E.; Lawson Daku, Latevi Max; ... Neese, Frank 2004
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Ground state entanglement energetics Buttiker, Markus; Jordan, Andrew N. 2005
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Shot noise of photon-excited electron-hole pairs in open quantum dots Polianski, Mikhail L.; Samuelsson, Martin Peter; Buttiker, Markus 2005
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The merits of the frozen-density embedding scheme to model solvatochromic shifts Neugebauer, Johannes; Louwerse, Manuel J.; Baerends, Evert J.; Wesolowski, Tomasz Adam 2005
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Embedding potentials for excited states of embedded species Wesolowski, Tomasz Adam 2014
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A simple model of solvent-induced symmetry-breaking charge transfer in excited quadrupolar molecules Ivanov, Anatoly I.; Dereka, Bogdan; Vauthey, Eric 2017