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Electronic and Structural Properties of the (101̅0) and (112̅0) ZnO Surfaces
Electronic and Structural Properties of the (101̅0) and (112̅0) ZnO Surfaces
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Electronic and Structural Properties of the (101̅0) and (112̅0) ZnO Surfaces

Marana, N. L ; Longo, V. M ; Longo, E ; Martins, J. B. L ; Sambrano, J. R

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-09, Vol.112 (38), p.8958-8963 [Periódico revisado por pares]

United States: American Chemical Society

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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
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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5
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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6
Density Functional Theory Study on the Structural and Electronic Properties of Low Index Rutile Surfaces for TiO 2 /SnO 2 /TiO 2 and SnO 2 /TiO 2 /SnO 2 Composite Systems
Density Functional Theory Study on the Structural and Electronic Properties of Low Index Rutile Surfaces for TiO 2 /SnO 2 /TiO 2 and SnO 2 /TiO 2 /SnO 2 Composite Systems
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Density Functional Theory Study on the Structural and Electronic Properties of Low Index Rutile Surfaces for TiO 2 /SnO 2 /TiO 2 and SnO 2 /TiO 2 /SnO 2 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]

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7
A Theoretical Study on the Gas Phase Reactions of the Anions NbO 3 - , NbO 5 - , and NbO 2 (OH) 2 - with H 2 O and O 2
A Theoretical Study on the Gas Phase Reactions of the Anions NbO 3 - , NbO 5 - , and NbO 2 (OH) 2 - with H 2 O and O 2
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A Theoretical Study on the Gas Phase Reactions of the Anions NbO 3 - , NbO 5 - , and NbO 2 (OH) 2 - with H 2 O and O 2

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]

Texto completo disponível

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8
Theoretical Study on the Molecular Mechanism for the Reaction of VO 2 + with C 2 H 4
Theoretical Study on the Molecular Mechanism for the Reaction of VO 2 + with C 2 H 4
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Theoretical Study on the Molecular Mechanism for the Reaction of VO 2 + with C 2 H 4

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]

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9
Preparation of TiO2/SnO2 Thin Films by Sol–Gel Method and Periodic B3LYP Simulations
Preparation of TiO2/SnO2 Thin Films by Sol–Gel Method and Periodic B3LYP Simulations
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Preparation of TiO2/SnO2 Thin Films by Sol–Gel Method and Periodic B3LYP Simulations

Floriano, Emerson A ; Scalvi, Luis V. A ; Saeki, Margarida J ; Sambrano, Julio R

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2014-08, Vol.118 (31), p.5857-5865 [Periódico revisado por pares]

United States: American Chemical Society

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10
Preparation of TiO sub(2)/SnO sub(2) Thin Films by Sol-Gel Method and Periodic B3LYP Simulations
Preparation of TiO sub(2)/SnO sub(2) Thin Films by Sol-Gel Method and Periodic B3LYP Simulations
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Preparation of TiO sub(2)/SnO sub(2) Thin Films by Sol-Gel Method and Periodic B3LYP Simulations

Floriano, Emerson A ; Scalvi, Luis VA ; Saeki, Margarida J ; Sambrano, Julio R

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2014-08, Vol.118 (31), p.5857-5865-5857-5865 [Periódico revisado por pares]

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