Browse by Title
45 items found
Showing titles from 25 to 45:
Format | Date | Title | Author |
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Format | Date | Title | Author |
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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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2018 June 1 |
Nuclear magnetic resonance chemical shifts with the statistical average of orbital-dependent model potentials in Kohn-Sham density functional theory |
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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
|
|
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
|
|
|
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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2018 June 1 |
One- and two-center energy components in the atoms in molecules theory |
|
|
2018 June 5 |
One- and two-center energy components in the atoms in molecules theory |
Salvador Sedano, Pedro
; Duran i Portas, Miquel
; Mayer, István
|
|
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
|
|
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
|
|
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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
|
|
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
|
|
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
; TodolĂ, J.L.
|
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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
; TodolĂ, 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
|