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Chemical Communications (Cambridge, England)
|
February 27, 2015
Electronic-structure-based material descriptors: (in)dependence on self-interaction and Hartree-Fock exchange
A Notario-Estévez, S M Kozlov, F Viñes, et al.
Journal of the American Chemical Society
|
April 6, 2016
Helical Folding-Induced Stabilization of Ferromagnetic Polyradicals Based on Triarylmethyl Radical Derivatives
Daniel Reta Mañeru, Ibério de P R Moreira, Francesc Illas
The Journal of Chemical Physics
|
June 18, 2009
Effect of the exchange-correlation potential and of surface relaxation on the description of the H(2)O dissociation on Cu(111)
José L C Fajín, Francesc Illas, José R B Gomes
The Journal of Physical Chemistry Letters
|
November 19, 2021
Tuning the Interfacial Energetics in WO<sub>3</sub>/WO<sub>3</sub> and WO<sub>3</sub>/TiO<sub>2</sub> Heterojunctions by Nanostructure Morphological Engineering
Valentin Diez-Cabanes, Ángel Morales-García, Francesc Illas, et al.
The Journal of Chemical Physics
|
February 17, 2011
The fate of optical excitations in small polyhedral ZnS clusters: a theoretical study of the excitation and localization of electrons in Zn4S4 and Zn6S6
Martijn A Zwijnenburg, Carmen Sousa, Francesc Illas, et al.
Nanoscale Advances
|
September 22, 2022
Relating X-ray photoelectron spectroscopy data to chemical bonding in MXenes
Néstor García-Romeral, Masoomeh Keyhanian, Ángel Morales-García, et al.
The Journal of Physical Chemistry. A
|
February 20, 2013
Theoretical investigation of stilbene as photochromic spin coupler
Arun K Pal, Shekhar Hansda, Sambhu N Datta, et al.
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
Physical Chemistry Chemical Physics : PCCP
|
November 13, 2020
Structural, electronic, and magnetic properties of Ni nanoparticles supported on the TiC(001) surface
Pablo Lozano-Reis, Ramón Sayós, José A Rodriguez, et al.
Journal of Chemical Theory and Computation
|
November 24, 2015
Designing the Redox-Driven Switching of Ferro- to Antiferromagnetic Couplings in Organic Diradicals
Md Ehesan Ali, Volker Staemmler, Francesc Illas, et al.
Page
of 30
Search research articles
Search
Showing results (141-150 of 292) with videos related to
Sort By:
Page
of 30
Chemical Communications (Cambridge, England)
|
February 27, 2015
Electronic-structure-based material descriptors: (in)dependence on self-interaction and Hartree-Fock exchange
A Notario-Estévez, S M Kozlov, F Viñes, et al.
Journal of the American Chemical Society
|
April 6, 2016
Helical Folding-Induced Stabilization of Ferromagnetic Polyradicals Based on Triarylmethyl Radical Derivatives
Daniel Reta Mañeru, Ibério de P R Moreira, Francesc Illas
The Journal of Chemical Physics
|
June 18, 2009
Effect of the exchange-correlation potential and of surface relaxation on the description of the H(2)O dissociation on Cu(111)
José L C Fajín, Francesc Illas, José R B Gomes
The Journal of Physical Chemistry Letters
|
November 19, 2021
Tuning the Interfacial Energetics in WO<sub>3</sub>/WO<sub>3</sub> and WO<sub>3</sub>/TiO<sub>2</sub> Heterojunctions by Nanostructure Morphological Engineering
Valentin Diez-Cabanes, Ángel Morales-García, Francesc Illas, et al.
The Journal of Chemical Physics
|
February 17, 2011
The fate of optical excitations in small polyhedral ZnS clusters: a theoretical study of the excitation and localization of electrons in Zn4S4 and Zn6S6
Martijn A Zwijnenburg, Carmen Sousa, Francesc Illas, et al.
Nanoscale Advances
|
September 22, 2022
Relating X-ray photoelectron spectroscopy data to chemical bonding in MXenes
Néstor García-Romeral, Masoomeh Keyhanian, Ángel Morales-García, et al.
The Journal of Physical Chemistry. A
|
February 20, 2013
Theoretical investigation of stilbene as photochromic spin coupler
Arun K Pal, Shekhar Hansda, Sambhu N Datta, et al.
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
Physical Chemistry Chemical Physics : PCCP
|
November 13, 2020
Structural, electronic, and magnetic properties of Ni nanoparticles supported on the TiC(001) surface
Pablo Lozano-Reis, Ramón Sayós, José A Rodriguez, et al.
Journal of Chemical Theory and Computation
|
November 24, 2015
Designing the Redox-Driven Switching of Ferro- to Antiferromagnetic Couplings in Organic Diradicals
Md Ehesan Ali, Volker Staemmler, Francesc Illas, et al.
Page
of 30