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Journal of Molecular Modeling
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December 17, 2008
First principles calculations on the influence of water-filled cavities on the electronic structure of Prussian Blue
Jacek C Wojdeł
Physical Review Letters
|
July 5, 2014
Ferroelectric transitions at ferroelectric domain walls found from first principles
Jacek C Wojdeł, Jorge Íñiguez
Physical Review Letters
|
April 7, 2010
Magnetoelectric response of multiferroic BiFeO3 and related materials from first-principles calculations
Jacek C Wojdeł, Jorge Iñiguez
Physical Review Letters
|
September 28, 2010
Ab Initio indications for giant magnetoelectric effects driven by structural softness
Jacek C Wojdeł, Jorge Iñiguez
Journal of Molecular Modeling
|
May 13, 2005
From cluster calculations to molecular materials: a mixed pseudopotential approach to modeling mixed-valence systems
Jacek C Wojdeł, Stefan T Bromley
The Journal of Physical Chemistry. B
|
December 1, 2006
Band gap variation in Prussian Blue via cation-induced structural distortion
Jacek C Wojdeł, Stefan T Bromley
The Journal of Chemical Physics
|
January 15, 2009
Periodic density functional theory study of spin crossover in the cesium iron hexacyanochromate prussian blue analog
Jacek C Wojdeł, Ibério de P R Moreira, Francesc Illas
Journal of the American Chemical Society
|
January 7, 2009
Chemical bonding and electronic and magnetic structure in LaOFeAs
Jacek C Wojdeł, Ibério de P R Moreira, Francesc Illas
Journal of Molecular Modeling
|
June 15, 2007
Development of realistic models for Double Metal Cyanide catalyst active sites
Jacek C Wojdeł, Stefan T Bromley, Francesc Illas, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
July 6, 2013
First-principles model potentials for lattice-dynamical studies: general methodology and example of application to ferroic perovskite oxides
Jacek C Wojdeł, Patrick Hermet, Mathias P Ljungberg, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 13) with videos related to
Sort By:
Page
of 2
Journal of Molecular Modeling
|
December 17, 2008
First principles calculations on the influence of water-filled cavities on the electronic structure of Prussian Blue
Jacek C Wojdeł
Physical Review Letters
|
July 5, 2014
Ferroelectric transitions at ferroelectric domain walls found from first principles
Jacek C Wojdeł, Jorge Íñiguez
Physical Review Letters
|
April 7, 2010
Magnetoelectric response of multiferroic BiFeO3 and related materials from first-principles calculations
Jacek C Wojdeł, Jorge Iñiguez
Physical Review Letters
|
September 28, 2010
Ab Initio indications for giant magnetoelectric effects driven by structural softness
Jacek C Wojdeł, Jorge Iñiguez
Journal of Molecular Modeling
|
May 13, 2005
From cluster calculations to molecular materials: a mixed pseudopotential approach to modeling mixed-valence systems
Jacek C Wojdeł, Stefan T Bromley
The Journal of Physical Chemistry. B
|
December 1, 2006
Band gap variation in Prussian Blue via cation-induced structural distortion
Jacek C Wojdeł, Stefan T Bromley
The Journal of Chemical Physics
|
January 15, 2009
Periodic density functional theory study of spin crossover in the cesium iron hexacyanochromate prussian blue analog
Jacek C Wojdeł, Ibério de P R Moreira, Francesc Illas
Journal of the American Chemical Society
|
January 7, 2009
Chemical bonding and electronic and magnetic structure in LaOFeAs
Jacek C Wojdeł, Ibério de P R Moreira, Francesc Illas
Journal of Molecular Modeling
|
June 15, 2007
Development of realistic models for Double Metal Cyanide catalyst active sites
Jacek C Wojdeł, Stefan T Bromley, Francesc Illas, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
July 6, 2013
First-principles model potentials for lattice-dynamical studies: general methodology and example of application to ferroic perovskite oxides
Jacek C Wojdeł, Patrick Hermet, Mathias P Ljungberg, et al.
Page
of 2