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Zinc blende versus wurtzite ZnS nanoparticles: control of the phase and optical properties by tetrabutylammonium hydroxide
Zinc blende versus wurtzite ZnS nanoparticles: control of the phase and optical properties by tetrabutylammonium hydroxide
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Zinc blende versus wurtzite ZnS nanoparticles: control of the phase and optical properties by tetrabutylammonium hydroxide

La Porta, F. A ; Andrés, J ; Li, M. S ; Sambrano, J. R ; Varela, J. A ; Longo, E

Physical chemistry chemical physics : PCCP, 2014-10, Vol.16 (37), p.2127-2137 [Periódico revisado por pares]

England

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2
Density Functional Theory Study on the Structural and Electronic Properties of Low Index Rutile Surfaces for TiO2/SnO2/TiO2 and SnO2/TiO2/SnO2 Composite Systems
Density Functional Theory Study on the Structural and Electronic Properties of Low Index Rutile Surfaces for TiO2/SnO2/TiO2 and SnO2/TiO2/SnO2 Composite Systems
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Density Functional Theory Study on the Structural and Electronic Properties of Low Index Rutile Surfaces for TiO2/SnO2/TiO2 and SnO2/TiO2/SnO2 Composite Systems

Beltrán, A ; Andrés, J ; Sambrano, J. R ; Longo, E

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-09, Vol.112 (38), p.8943-8952 [Periódico revisado por pares]

United States: American Chemical Society

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3
Toward an Understanding of Intermediate- and Short-Range Defects in ZnO Single Crystals. A Combined Experimental and Theoretical Study
Toward an Understanding of Intermediate- and Short-Range Defects in ZnO Single Crystals. A Combined Experimental and Theoretical Study
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Toward an Understanding of Intermediate- and Short-Range Defects in ZnO Single Crystals. A Combined Experimental and Theoretical Study

Lima, R. C ; Macario, L. R ; Espinosa, J. W. M ; Longo, V. M ; Erlo, R ; Marana, N. L ; Sambrano, J. R ; dos Santos, M. L ; Moura, A. P ; Pizani, P. S ; Andrés, J ; Longo, E ; Varela, J. A

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-09, Vol.112 (38), p.8970-8978 [Periódico revisado por pares]

United States: American Chemical Society

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4
In silico infrared and Raman spectroscopy under pressure: the case of CaSnO3 perovskite
In silico infrared and Raman spectroscopy under pressure: the case of CaSnO3 perovskite
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In silico infrared and Raman spectroscopy under pressure: the case of CaSnO3 perovskite

Maul, J ; Erba, A ; Santos, I M G ; Sambrano, J R ; Dovesi, R

The Journal of chemical physics, 2015-01, Vol.142 (1), p.014505-014505 [Periódico revisado por pares]

United States: American Institute of Physics

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5
Theoretical Study on the Molecular Mechanism for the Reaction of VO2 + with C2H4
Theoretical Study on the Molecular Mechanism for the Reaction of VO2 + with C2H4
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Theoretical Study on the Molecular Mechanism for the Reaction of VO2 + with C2H4

Gracia, L ; Sambrano, J. R ; Safont, V. S ; Calatayud, M ; Beltrán, A ; Andrés, J

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2003-05, Vol.107 (17), p.3107-3120 [Periódico revisado por pares]

American Chemical Society

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6
A Theoretical Study on the Gas Phase Reactions of the Anions NbO3 -, NbO5 -, and NbO2(OH)2 - with H2O and O2
A Theoretical Study on the Gas Phase Reactions of the Anions NbO3 -, NbO5 -, and NbO2(OH)2 - with H2O and O2
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A Theoretical Study on the Gas Phase Reactions of the Anions NbO3 -, NbO5 -, and NbO2(OH)2 - with H2O and O2

Sambrano, J. R ; Gracia, L ; Andrés, J ; Berski, S ; Beltrán, A

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2004-12, Vol.108 (49), p.10850-10860 [Periódico revisado por pares]

American Chemical Society

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7
A theoretical study on cytosine tautomers in aqueous media by using continuum models
A theoretical study on cytosine tautomers in aqueous media by using continuum models
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A theoretical study on cytosine tautomers in aqueous media by using continuum models

Sambrano, J.R. ; de Souza, A.R. ; Queralt, J.J. ; Andrés, J.

Chemical physics letters, 2000-02, Vol.317 (3), p.437-443 [Periódico revisado por pares]

Elsevier B.V

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8
DFT study on the water-assisted mechanism for the reaction between VO+ and NH3 to yield VNH+ and H2O
DFT study on the water-assisted mechanism for the reaction between VO+ and NH3 to yield VNH+ and H2O
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DFT study on the water-assisted mechanism for the reaction between VO+ and NH3 to yield VNH+ and H2O

Gracia, L. ; Andrés, J. ; Beltrán, A. ; Sambrano, J.R.

Chemical physics letters, 2006-08, Vol.427 (4-6), p.265-270 [Periódico revisado por pares]

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9
A DFT rationalization of the room temperature photoluminescence of Li2TiSiO5
A DFT rationalization of the room temperature photoluminescence of Li2TiSiO5
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A DFT rationalization of the room temperature photoluminescence of Li2TiSiO5

Orhan, E. ; Albarici, V.C. ; Escote, M.T. ; Machado, M.A.C. ; Pizani, P.S. ; Leite, E.R. ; Sambrano, J.R. ; Varela, J.A. ; Longo, E.

Chemical physics letters, 2004-11, Vol.398 (4-6), p.330-335 [Periódico revisado por pares]

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10
Density functional study of the 5-methylcytosine tautomers
Density functional study of the 5-methylcytosine tautomers
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Density functional study of the 5-methylcytosine tautomers

Sambrano, J.R ; de Souza, A.R ; Queralt, J.J ; Oliva, M ; Andrés, J

Chemical physics, 2001-03, Vol.264 (3), p.333-340 [Periódico revisado por pares]

Elsevier B.V

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