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Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
April 8, 2011
Diradicals and diradicaloids in natural orbital functional theory
Xabier Lopez, Fernando Ruipérez, Mario Piris, et al.
The Journal of Chemical Physics
|
May 27, 2008
Quantum Monte Carlo study of the ground state and low-lying excited states of the scandium dimer
Jon M Matxain, Elixabete Rezabal, Xabier Lopez, et al.
The Journal of Chemical Physics
|
July 23, 2004
A reinterpretation of the nature of the Fermi hole
Eduardo V Ludeña, Jesus M Ugalde, Xabier Lopez, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 29, 2013
A DFT/TDDFT study on the optoelectronic properties of the amine-capped magic (CdSe)13 nanocluster
Jon M Azpiroz, Jon M Matxain, Ivan Infante, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 19, 2022
Unravelling the binding affinity and selectivity of molybdenum(II) phenanthroline complexes with DNA G-quadruplexes by using linear-scaling DFT studies. The important role of ancillary ligands
Iker Ortiz de Luzuriaga, Ángel Sánchez-González, Wojciech Synoradzki, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 19, 2016
Phosphorylation promotes Al(iii) binding to proteins: GEGEGSGG as a case study
Rafael Grande-Aztatzi, Elena Formoso, Jon I Mujika, et al.
The Journal of Chemical Physics
|
September 24, 2025
Toward a formulation of a CISS theory with the inclusion of two-particle relativistic effects, electron-phonon coupling, and electron-electron correlation. An application to NMR-based chiral discrimination
Eduardo V Ludeña, Jesus M Ugalde, Xabier Lopez, et al.
Journal of the American Chemical Society
|
May 6, 2009
Sandwich complexes of the metalloaromatic eta(3)-Al3R3 ligand
Jose M Mercero, Mario Piris, Jon M Matxain, et al.
Journal of Inorganic Biochemistry
|
July 18, 2020
Theoretical characterization of Al(III) binding to KSPVPKSPVEEKG: Insights into the propensity of aluminum to interact with key sequences for neurofilament formation
Rafael Grande-Aztatzi, Elena Formoso, Jon I Mujika, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 19, 2014
Mapping the affinity of aluminum(III) for biophosphates: interaction mode and binding affinity in 1 : 1 complexes
Noelia B Luque, Jon I Mujika, Elixabete Rezabal, et al.
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of 11
Search research articles
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Showing results (41-50 of 101) with videos related to
Sort By:
Page
of 11
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
April 8, 2011
Diradicals and diradicaloids in natural orbital functional theory
Xabier Lopez, Fernando Ruipérez, Mario Piris, et al.
The Journal of Chemical Physics
|
May 27, 2008
Quantum Monte Carlo study of the ground state and low-lying excited states of the scandium dimer
Jon M Matxain, Elixabete Rezabal, Xabier Lopez, et al.
The Journal of Chemical Physics
|
July 23, 2004
A reinterpretation of the nature of the Fermi hole
Eduardo V Ludeña, Jesus M Ugalde, Xabier Lopez, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 29, 2013
A DFT/TDDFT study on the optoelectronic properties of the amine-capped magic (CdSe)13 nanocluster
Jon M Azpiroz, Jon M Matxain, Ivan Infante, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 19, 2022
Unravelling the binding affinity and selectivity of molybdenum(II) phenanthroline complexes with DNA G-quadruplexes by using linear-scaling DFT studies. The important role of ancillary ligands
Iker Ortiz de Luzuriaga, Ángel Sánchez-González, Wojciech Synoradzki, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 19, 2016
Phosphorylation promotes Al(iii) binding to proteins: GEGEGSGG as a case study
Rafael Grande-Aztatzi, Elena Formoso, Jon I Mujika, et al.
The Journal of Chemical Physics
|
September 24, 2025
Toward a formulation of a CISS theory with the inclusion of two-particle relativistic effects, electron-phonon coupling, and electron-electron correlation. An application to NMR-based chiral discrimination
Eduardo V Ludeña, Jesus M Ugalde, Xabier Lopez, et al.
Journal of the American Chemical Society
|
May 6, 2009
Sandwich complexes of the metalloaromatic eta(3)-Al3R3 ligand
Jose M Mercero, Mario Piris, Jon M Matxain, et al.
Journal of Inorganic Biochemistry
|
July 18, 2020
Theoretical characterization of Al(III) binding to KSPVPKSPVEEKG: Insights into the propensity of aluminum to interact with key sequences for neurofilament formation
Rafael Grande-Aztatzi, Elena Formoso, Jon I Mujika, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 19, 2014
Mapping the affinity of aluminum(III) for biophosphates: interaction mode and binding affinity in 1 : 1 complexes
Noelia B Luque, Jon I Mujika, Elixabete Rezabal, et al.
Page
of 11