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Nanoscale
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February 14, 2023
Crystal properties without crystallinity? Influence of surface hydroxylation on the structure and properties of small TiO<sub>2</sub> nanoparticles
Miguel Recio-Poo, Ángel Morales-García, Francesc Illas, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
September 24, 2021
Adsorption and Activation of CO<sub>2</sub> on Nitride MXenes: Composition, Temperature, and Pressure effects
Anabel Jurado, Kevin Ibarra, Ángel Morales-García, et al.
Brain Research Bulletin
|
September 8, 2005
Outlining the nascent nervous system of Branchiostoma floridae (amphioxus) by the pan-neural marker AmphiElav
Elia Benito-Gutiérrez, Margarita Illas, Joan X Comella, et al.
The Journal of Chemical Physics
|
March 18, 2010
Density functional study of CO and NO adsorption on Ni-doped MgO(100)
Rosendo Valero, José R B Gomes, Donald G Truhlar, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 19, 2016
Performance of a modified hybrid functional in the simultaneous description of stoichiometric and reduced TiO2 polymorphs
Kyoung Chul Ko, Oriol Lamiel-García, Jin Yong Lee, et al.
Journal of Chemical Theory and Computation
|
November 21, 2015
Establishing the Accuracy of Broadly Used Density Functionals in Describing Bulk Properties of Transition Metals
Patanachai Janthon, Sergey M Kozlov, Francesc Viñes, et al.
Journal of Chemical Theory and Computation
|
December 3, 2015
Restricted Ensemble-Referenced Kohn-Sham versus Broken Symmetry Approaches in Density Functional Theory: Magnetic Coupling in Cu Binuclear Complexes
Ibério de P R Moreira, Ramon Costa, Michael Filatov, et al.
The Journal of Physical Chemistry. A
|
March 7, 2018
Post-B3LYP Functionals Do Not Improve the Description of Magnetic Coupling in Cu(II) Dinuclear Complexes
Ramon Costa, Daniel Reta, Ibério de P R Moreira, et al.
Nanoscale
|
April 15, 2024
Tuning electronic levels in photoactive hydroxylated titania nanosystems: combining the ligand dipole effect and quantum confinement
Miguel Recio-Poo, Ángel Morales-García, Francesc Illas, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 12, 2017
ZnO powders as multi-facet single crystals
Francia Haque, Stéphane Chenot, Francesc Viñes, et al.
Page
of 30
Search research articles
Search
Showing results (171-180 of 292) with videos related to
Sort By:
Page
of 30
Nanoscale
|
February 14, 2023
Crystal properties without crystallinity? Influence of surface hydroxylation on the structure and properties of small TiO<sub>2</sub> nanoparticles
Miguel Recio-Poo, Ángel Morales-García, Francesc Illas, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
September 24, 2021
Adsorption and Activation of CO<sub>2</sub> on Nitride MXenes: Composition, Temperature, and Pressure effects
Anabel Jurado, Kevin Ibarra, Ángel Morales-García, et al.
Brain Research Bulletin
|
September 8, 2005
Outlining the nascent nervous system of Branchiostoma floridae (amphioxus) by the pan-neural marker AmphiElav
Elia Benito-Gutiérrez, Margarita Illas, Joan X Comella, et al.
The Journal of Chemical Physics
|
March 18, 2010
Density functional study of CO and NO adsorption on Ni-doped MgO(100)
Rosendo Valero, José R B Gomes, Donald G Truhlar, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 19, 2016
Performance of a modified hybrid functional in the simultaneous description of stoichiometric and reduced TiO2 polymorphs
Kyoung Chul Ko, Oriol Lamiel-García, Jin Yong Lee, et al.
Journal of Chemical Theory and Computation
|
November 21, 2015
Establishing the Accuracy of Broadly Used Density Functionals in Describing Bulk Properties of Transition Metals
Patanachai Janthon, Sergey M Kozlov, Francesc Viñes, et al.
Journal of Chemical Theory and Computation
|
December 3, 2015
Restricted Ensemble-Referenced Kohn-Sham versus Broken Symmetry Approaches in Density Functional Theory: Magnetic Coupling in Cu Binuclear Complexes
Ibério de P R Moreira, Ramon Costa, Michael Filatov, et al.
The Journal of Physical Chemistry. A
|
March 7, 2018
Post-B3LYP Functionals Do Not Improve the Description of Magnetic Coupling in Cu(II) Dinuclear Complexes
Ramon Costa, Daniel Reta, Ibério de P R Moreira, et al.
Nanoscale
|
April 15, 2024
Tuning electronic levels in photoactive hydroxylated titania nanosystems: combining the ligand dipole effect and quantum confinement
Miguel Recio-Poo, Ángel Morales-García, Francesc Illas, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 12, 2017
ZnO powders as multi-facet single crystals
Francia Haque, Stéphane Chenot, Francesc Viñes, et al.
Page
of 30