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FormatDateTitleAuthor
FormatDateTitleAuthor
out url icon Recercat 2018 June 1 Nuclear magnetic resonance chemical shifts with the statistical average of orbital-dependent model potentials in Kohn-Sham density functional theory
out url icon Recercat 2018 June 5 Nuclear magnetic resonance chemical shifts with the statistical average of orbital-dependent model potentials in Kohn-Sham density functional theory Poater i Teixidor, Jordi ; Lenthe, Erik van‏ ; Baerends, Evert Jan
out url icon Recercat 2020 February 15 Nuclear magnetic resonance chemical shifts with the statistical average of orbital-dependent model potentials in Kohn-Sham density functional theory Poater i Teixidor, Jordi ; Lenthe, Erik van‏ ; Baerends, Evert Jan
out url icon Recercat One- and two-center energy components in the atoms in molecules theory Salvador Sedano, Pedro ; Duran i Portas, Miquel ; Mayer, István
out url icon Recercat One- and two-center energy components in the atoms in molecules theory Salvador Sedano, Pedro ; Duran i Portas, Miquel ; Mayer, István
out url icon Recercat 2018 June 1 One- and two-center energy components in the atoms in molecules theory
out url icon Recercat 2018 June 5 One- and two-center energy components in the atoms in molecules theory Salvador Sedano, Pedro ; Duran i Portas, Miquel ; Mayer, István
doc icon DUGiDocs 2001 One- and two-center energy components in the atoms in molecules theory Salvador Sedano, Pedro ; Duran i Portas, Miquel ; Mayer, István
doc icon DUGiDocs 2007 One- and two-center physical space partitioning of the energy in the density functional theory Salvador Sedano, Pedro ; Mayer, István
out url icon Recercat One- and two-center physical space partitioning of the energy in the density functional theory Salvador Sedano, Pedro ; Mayer, István
doc icon DUGiDocs 1997 The relevance of the Laplacian of intracule and extracule density distributions for analyzing electron-electron interactions in molecules Fradera i LlinĂ s, Xavier ; Duran i Portas, Miquel ; Mestres i LĂłpez, Jordi
out url icon Recercat The relevance of the Laplacian of intracule and extracule density distributions for analyzing electron-electron interactions in molecules Fradera i LlinĂ s, Xavier ; Duran i Portas, Miquel ; Mestres i LĂłpez, Jordi
out url icon Recercat 2020 February 15 The relevance of the Laplacian of intracule and extracule density distributions for analyzing electron-electron interactions in molecules Fradera i LlinĂ s, Xavier ; Duran i Portas, Miquel ; Mestres i LĂłpez, Jordi
doc icon DUGiDocs 2006 Selected configuration interaction with truncation energy error and application to the Ne atom Bunge, Carlos F.
out url icon Recercat Selected configuration interaction with truncation energy error and application to the Ne atom Bunge, Carlos F.
doc icon DUGiDocs 2008 March 4 Sulfide and sulfate determination in water samples by means of hydrogen sulfide generation-inductively coupled plasma-atomic emission spectrometry Colon i Bosch, Mireia ; Iglesias Juncà, Mònica ; Hidalgo Muñoz, Manuela ; Todolí, J.L.
out url icon Recercat Sulfide and sulfate determination in water samples by means of hydrogen sulfide generation-inductively coupled plasma-atomic emission spectrometry Colon i Bosch, Mireia ; Iglesias Juncà, Mònica ; Hidalgo Muñoz, Manuela ; Todolí, J.L.
doc icon DUGiDocs 2008 Two complementary molecular energy decomposition schemes: the Mayer and Ziegler-Rauk methods in comparison Vyboishchikov, Sergei F. ; Krapp, Andreas ; Frenking, Gernot
out url icon Recercat Two complementary molecular energy decomposition schemes: the Mayer and Ziegler-Rauk methods in comparison Vyboishchikov, Sergei F. ; Krapp, Andreas ; Frenking, Gernot
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