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Mariona Sodupe

Showing results (31-40 of 82) with videos related to

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Physical Chemistry Chemical Physics : PCCP|May 6, 2015
Coordination properties of a metal chelator clioquinol to Zn(2+) studied by static DFT and ab initio molecular dynamicsLuis Rodríguez-Santiago, Jorge Alí-Torres, Pietro Vidossich, et al.
The Journal of Physical Chemistry. A|June 18, 2011
Structures and stabilities of Fe2+/3+ complexes relevant to Alzheimer's disease: an ab initio studyJorge Alí-Torres, Luis Rodríguez-Santiago, Mariona Sodupe, et al.
Inorganic Chemistry|October 24, 2001
Coordination of NO(2) to Cu and Mg in M(NO(2))(2) Complexes. A Theoretical StudyLuis Rodríguez-Santiago, Xavier Solans-Monfort, Mariona Sodupe, et al.
Langmuir : the ACS Journal of Surfaces and Colloids|July 13, 2006
Interaction of glycine with isolated hydroxyl groups at the silica surface: first principles B3LYP periodic simulationAlbert Rimola, Mariona Sodupe, Sergio Tosoni, et al.
Nanoscale|September 2, 2021
Surface morphology controls water dissociation on hydrated IrO<sub>2</sub> nanoparticlesDanilo González, Mariona Sodupe, Luis Rodríguez-Santiago, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|November 16, 2019
Enhanced Metallophilicity in Metal-Carbene Systems: Stronger Character of Aurophilic Interactions in SolutionAlba Vellé, Luis Rodríguez-Santiago, Mariona Sodupe, et al.
Journal of Chemical Theory and Computation|December 5, 2015
Influence of the Side Chain in the Structure and Fragmentation of Amino Acids Radical CationsAdrià Gil, Sílvia Simon, Luis Rodríguez-Santiago, et al.
The Journal of Physical Chemistry. A|September 21, 2010
The role of exact exchange in the description of Cu(2+)-(H(2)O)(n) (n = 1-6) complexes by means of DFT methodsRaquel Rios-Font, Mariona Sodupe, Luis Rodríguez-Santiago, et al.
Physical Chemistry Chemical Physics : PCCP|December 22, 2009
A DFT periodic study on the interaction between O2 and cation exchanged chabazite MCHA (M = H+, Na+ or Cu+): effects in the triplet-singlet energy gapYoana Pérez-Badell, Xavier Solans-Monfort, Mariona Sodupe, et al.
Journal of the American Chemical Society|August 18, 2011
Three dimensional models of Cu(2+)-Aβ(1-16) complexes from computational approachesJorge Alí-Torres, Jean-Didier Maréchal, Luis Rodríguez-Santiago, et al.
Pageof 9

Showing results (31-40 of 82) with videos related to

Sort By:
Pageof 9
Physical Chemistry Chemical Physics : PCCP|May 6, 2015
Coordination properties of a metal chelator clioquinol to Zn(2+) studied by static DFT and ab initio molecular dynamicsLuis Rodríguez-Santiago, Jorge Alí-Torres, Pietro Vidossich, et al.
The Journal of Physical Chemistry. A|June 18, 2011
Structures and stabilities of Fe2+/3+ complexes relevant to Alzheimer's disease: an ab initio studyJorge Alí-Torres, Luis Rodríguez-Santiago, Mariona Sodupe, et al.
Inorganic Chemistry|October 24, 2001
Coordination of NO(2) to Cu and Mg in M(NO(2))(2) Complexes. A Theoretical StudyLuis Rodríguez-Santiago, Xavier Solans-Monfort, Mariona Sodupe, et al.
Langmuir : the ACS Journal of Surfaces and Colloids|July 13, 2006
Interaction of glycine with isolated hydroxyl groups at the silica surface: first principles B3LYP periodic simulationAlbert Rimola, Mariona Sodupe, Sergio Tosoni, et al.
Nanoscale|September 2, 2021
Surface morphology controls water dissociation on hydrated IrO<sub>2</sub> nanoparticlesDanilo González, Mariona Sodupe, Luis Rodríguez-Santiago, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|November 16, 2019
Enhanced Metallophilicity in Metal-Carbene Systems: Stronger Character of Aurophilic Interactions in SolutionAlba Vellé, Luis Rodríguez-Santiago, Mariona Sodupe, et al.
Journal of Chemical Theory and Computation|December 5, 2015
Influence of the Side Chain in the Structure and Fragmentation of Amino Acids Radical CationsAdrià Gil, Sílvia Simon, Luis Rodríguez-Santiago, et al.
The Journal of Physical Chemistry. A|September 21, 2010
The role of exact exchange in the description of Cu(2+)-(H(2)O)(n) (n = 1-6) complexes by means of DFT methodsRaquel Rios-Font, Mariona Sodupe, Luis Rodríguez-Santiago, et al.
Physical Chemistry Chemical Physics : PCCP|December 22, 2009
A DFT periodic study on the interaction between O2 and cation exchanged chabazite MCHA (M = H+, Na+ or Cu+): effects in the triplet-singlet energy gapYoana Pérez-Badell, Xavier Solans-Monfort, Mariona Sodupe, et al.
Journal of the American Chemical Society|August 18, 2011
Three dimensional models of Cu(2+)-Aβ(1-16) complexes from computational approachesJorge Alí-Torres, Jean-Didier Maréchal, Luis Rodríguez-Santiago, et al.
Pageof 9