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Physical Chemistry Chemical Physics : PCCP
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April 21, 2011
A multi-scale approach to spin crossover in Fe(II) compounds
Marcel Swart, Mireia Güell, Miquel Solà
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry
|
September 25, 2007
Theoretical study of the catalytic mechanism of catechol oxidase
Mireia Güell, Per E M Siegbahn
Physical Chemistry Chemical Physics : PCCP
|
December 14, 2012
Computational study of the spin-state energies and UV-Vis spectra of bis(1,4,7-triazacyclononane) complexes of some first-row transition metal cations
Matija Zlatar, Maja Gruden-Pavlović, Mireia Güell, et al.
The Journal of Physical Chemistry. A
|
June 18, 2010
Spin-state-corrected Gaussian-type orbital basis sets
Marcel Swart, Mireia Güell, Josep M Luis, et al.
The Journal of Physical Chemistry. A
|
June 25, 2008
Importance of the basis set for the spin-state energetics of iron complexes
Mireia Güell, Josep M Luis, Miquel Solà, et al.
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry
|
October 31, 2008
Theoretical study of the hydroxylation of phenolates by the Cu(2)O (2)(N,N'-dimethylethylenediamine) (2) (2+) complex
Mireia Güell, Josep M Luis, Miquel Solà, et al.
The Journal of Physical Chemistry. A
|
October 6, 2006
Analysis of electron delocalization in aromatic systems: individual molecular orbital contributions to para-delocalization indexes (PDI)
Mireia Güell, Eduard Matito, Josep M Luis, et al.
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry
|
November 19, 2008
Theoretical study of the hydroxylation of phenols mediated by an end-on bound superoxo-copper(II) complex
Mireia Güell, Josep M Luis, Per E M Siegbahn, et al.
The Journal of Physical Chemistry. A
|
January 17, 2009
Structure, bonding, and relative stability of the ground and low-lying electronic states of CuO2. The role of exact exchange
Mireia Güell, Josep M Luis, Luís Rodríguez-Santiago, et al.
Organic Letters
|
December 15, 2006
Intramolecular ene reaction of 1,6-fullerenynes: a new synthesis of allenes
Margarita Altable, Salvatore Filippone, Angel Martín-Domenech, et al.
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Search research articles
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Showing results (1-10 of 20) with videos related to
Sort By:
Page
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Physical Chemistry Chemical Physics : PCCP
|
April 21, 2011
A multi-scale approach to spin crossover in Fe(II) compounds
Marcel Swart, Mireia Güell, Miquel Solà
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry
|
September 25, 2007
Theoretical study of the catalytic mechanism of catechol oxidase
Mireia Güell, Per E M Siegbahn
Physical Chemistry Chemical Physics : PCCP
|
December 14, 2012
Computational study of the spin-state energies and UV-Vis spectra of bis(1,4,7-triazacyclononane) complexes of some first-row transition metal cations
Matija Zlatar, Maja Gruden-Pavlović, Mireia Güell, et al.
The Journal of Physical Chemistry. A
|
June 18, 2010
Spin-state-corrected Gaussian-type orbital basis sets
Marcel Swart, Mireia Güell, Josep M Luis, et al.
The Journal of Physical Chemistry. A
|
June 25, 2008
Importance of the basis set for the spin-state energetics of iron complexes
Mireia Güell, Josep M Luis, Miquel Solà, et al.
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry
|
October 31, 2008
Theoretical study of the hydroxylation of phenolates by the Cu(2)O (2)(N,N'-dimethylethylenediamine) (2) (2+) complex
Mireia Güell, Josep M Luis, Miquel Solà, et al.
The Journal of Physical Chemistry. A
|
October 6, 2006
Analysis of electron delocalization in aromatic systems: individual molecular orbital contributions to para-delocalization indexes (PDI)
Mireia Güell, Eduard Matito, Josep M Luis, et al.
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry
|
November 19, 2008
Theoretical study of the hydroxylation of phenols mediated by an end-on bound superoxo-copper(II) complex
Mireia Güell, Josep M Luis, Per E M Siegbahn, et al.
The Journal of Physical Chemistry. A
|
January 17, 2009
Structure, bonding, and relative stability of the ground and low-lying electronic states of CuO2. The role of exact exchange
Mireia Güell, Josep M Luis, Luís Rodríguez-Santiago, et al.
Organic Letters
|
December 15, 2006
Intramolecular ene reaction of 1,6-fullerenynes: a new synthesis of allenes
Margarita Altable, Salvatore Filippone, Angel Martín-Domenech, et al.
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of 2