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Format | Data | Títol | Autor |
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Format | Data | Títol | Autor |
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2003 |
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
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1 juny 2018 |
Nuclear magnetic resonance chemical shifts with the statistical average of orbital-dependent model potentials in Kohn-Sham density functional theory |
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5 juny 2018 |
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
|
|
15 febrer 2020 |
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
|
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One- and two-center energy components in the atoms in molecules theory |
Salvador Sedano, Pedro
; Duran i Portas, Miquel
; Mayer, István
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One- and two-center energy components in the atoms in molecules theory |
Salvador Sedano, Pedro
; Duran i Portas, Miquel
; Mayer, István
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1 juny 2018 |
One- and two-center energy components in the atoms in molecules theory |
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5 juny 2018 |
One- and two-center energy components in the atoms in molecules theory |
Salvador Sedano, Pedro
; Duran i Portas, Miquel
; Mayer, István
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2001 |
One- and two-center energy components in the atoms in molecules theory |
Salvador Sedano, Pedro
; Duran i Portas, Miquel
; Mayer, István
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2007 |
One- and two-center physical space partitioning of the energy in the density functional theory |
Salvador Sedano, Pedro
; Mayer, István
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One- and two-center physical space partitioning of the energy in the density functional theory |
Salvador Sedano, Pedro
; Mayer, István
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1997 |
The relevance of the Laplacian of intracule and extracule density distributions for analyzing electron-electron interactions in molecules |
Fradera i Llinàs, Xavier
; Duran i Portas, Miquel
; Mestres i López, Jordi
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The relevance of the Laplacian of intracule and extracule density distributions for analyzing electron-electron interactions in molecules |
Fradera i Llinàs, Xavier
; Duran i Portas, Miquel
; Mestres i López, Jordi
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15 febrer 2020 |
The relevance of the Laplacian of intracule and extracule density distributions for analyzing electron-electron interactions in molecules |
Fradera i Llinàs, Xavier
; Duran i Portas, Miquel
; Mestres i López, Jordi
|
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2006 |
Selected configuration interaction with truncation energy error and application to the Ne atom |
Bunge, Carlos F.
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Selected configuration interaction with truncation energy error and application to the Ne atom |
Bunge, Carlos F.
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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.
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4 març 2008 |
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.
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2008 |
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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Two complementary molecular energy decomposition schemes: the Mayer and Ziegler-Rauk methods in comparison |
Vyboishchikov, Sergei F.
; Krapp, Andreas
; Frenking, Gernot
|