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Electronic Structure and Bonding in CuMO2 (M = Al, Ga, Y) Delafossite-Type Oxides: An Ab Initio Study

The journal of physical chemistry. B, 1999-09, Vol.103 (38), p.8060-8066

1999

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The adsorption of furfural on SrTiO3 and SrCoxTi1-xO3 perovskites: A DFT study within the molecular cluster approach

Journal of molecular structure, 2021-02, Vol.1226, p.129333, Article 129333

2021

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Reaction Conditions and Aqueous Washing Process: Implications for Graphene Oxide Production and Its Applications

ACS applied nano materials, 2022-04, Vol.5 (4), p.4648-4662

2022

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Furfural Hydrogenation Over Reduced Pure (LaBO3) and Substituted (LaB0.5B'0.5O3) (B, B': Fe, Co, Ni) Perovskites

ChemCatChem, 2024-06, Vol.16 (12), p.n/a

2024

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Graphene functionalization: Mechanism of carboxyl group formation

Carbon (New York), 2018-04, Vol.130, p.340-349

2018

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Electron transfer and electronic structure of KCuFeS2

Journal of alloys and compounds, 1996-02, Vol.234 (1), p.40-42

1996

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Porosity, structural and fractal study of sol-gel TiO2-CeO2 mixed oxides

Journal of solid state chemistry, 2004-06, Vol.177 (6), p.1873-1885

2004

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Posibles sitios de ocupación para el tritio en el titanato de litio: un estudio DTF periódico

Avances en ciencias e ingeniería, 2010, Vol.1 (2), p.37-46

2010

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POSIBLES SITIOS DE OCUPACIÓN PARA EL TRITIO EN EL TITANATO DE LITIO: UN ESTUDIO DFT PERIÓDICO

Avances en ciencias e ingeniería, 2010-01, Vol.1 (2), p.37-46

2010

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Preparation, transport properties, and electronic structure of quaternary sulfides based on tetrahedral [MS4]4− units: SrCu2MS4 (M=Ge, Sn)

Journal of alloys and compounds, 2001-03, Vol.316 (1-2), p.146-152

2001

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Preparation, transport properties, and electronic structure of quaternary sulfides based on tetrahedral [MS 4] 4− units: SrCu 2MS 4 (M=Ge, Sn)

Journal of alloys and compounds, 2001, Vol.316 (1), p.146-152

2001

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Preparation, transport properties, and electronic structure of quaternary sulfides based on tetrahedral {MS414 units : SrCu2MS4 (M=Ge, Sn)

Journal of alloys and compounds, 2001, Vol.316 (1-2), p.146-152

2001

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Electronic Structure and Bonding in CuMO 2 (M = Al, Ga, Y) Delafossite-Type Oxides: An Ab Initio Study

The journal of physical chemistry. B, 1999-09, Vol.103 (38), p.8060-8066

1999

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Porosity, structural and fractal study of sol–gel TiO 2–CeO 2 mixed oxides

Journal of solid state chemistry, 2004, Vol.177 (6), p.1873-1885

2004

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Color and Conductivity in Cu2O and CuAlO2: A Theoretical Analysis of d10···d10 Interactions in Solid-State Compounds

Chemistry of materials, 2001-02, Vol.13 (2), p.338-344

2001

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Color and Conductivity in Cu 2 O and CuAlO 2 : A Theoretical Analysis of d 10 ···d 10 Interactions in Solid-State Compounds

Chemistry of materials, 2001-02, Vol.13 (2), p.338-344

2001

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Color and conductivity in Cu2O and CuAlO2 : A theoretical analysis of d10...d10 interactions in solid-state compounds

Chemistry of materials, 2001, Vol.13 (2), p.338-344

2001

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Electronic Structure and Dynamic Properties of Solid Alkali Cyanides

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 1997-02, Vol.101 (7), p.1393-1399

1997

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Synthesis, Crystal Structure, and Electronic Structure of CsCuFeS2

Journal of solid state chemistry, 1996-02, Vol.122 (1), p.31-35

1996

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Electron transfer in the insertion of alkali metals in chalcopyrite

Materials research bulletin, 1995, Vol.30 (1), p.43-48

1995

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Ordering of transition metal atoms in MCuFeS2 (M = Li, Na): electronic structure and Monte Carlo simulations

Chemical physics, 1994-12, Vol.189 (3), p.585-591

1994

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Electron transfer and electronic structure of KCuFeS 2

Journal of alloys and compounds, 1996, Vol.234 (1), p.40-42

1996

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Theoretical study of methanethiol adsorbed on GaAs(100) surface

Journal of molecular structure. Theochem, 2009-07, Vol.906 (1), p.72-77

2009

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Ordering of transition metal atoms in MCuFeS 2 (M = Li, Na): electronic structure and Monte Carlo simulations

Chemical physics, 1994, Vol.189 (3), p.585-591

1994

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ChemInform Abstract: Preparation, Transport Properties, and Electronic Structure of Quaternary Sulfides Based on Tetrahedral [MS 4 ] 4‐ Units: SrCu 2 MS 4 (M: Ge, Sn)

ChemInform, 2001-06, Vol.32 (26)

2001

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Electronic Structure and Bonding in CuMO2 (M = Al, Ga, Y) Delafossite-Type Oxides: An Ab Initio Study

The adsorption of furfural on SrTiO3 and SrCoxTi1-xO3 perovskites: A DFT study within the molecular cluster approach

Reaction Conditions and Aqueous Washing Process: Implications for Graphene Oxide Production and Its Applications

Furfural Hydrogenation Over Reduced Pure (LaBO3) and Substituted (LaB0.5B'0.5O3) (B, B': Fe, Co, Ni) Perovskites

Graphene functionalization: Mechanism of carboxyl group formation

Electron transfer and electronic structure of KCuFeS2

Porosity, structural and fractal study of sol-gel TiO2-CeO2 mixed oxides

Posibles sitios de ocupación para el tritio en el titanato de litio: un estudio DTF periódico

POSIBLES SITIOS DE OCUPACIÓN PARA EL TRITIO EN EL TITANATO DE LITIO: UN ESTUDIO DFT PERIÓDICO

Preparation, transport properties, and electronic structure of quaternary sulfides based on tetrahedral [MS4]4− units: SrCu2MS4 (M=Ge, Sn)

Preparation, transport properties, and electronic structure of quaternary sulfides based on tetrahedral [MS 4] 4− units: SrCu 2MS 4 (M=Ge, Sn)

Preparation, transport properties, and electronic structure of quaternary sulfides based on tetrahedral {MS414 units : SrCu2MS4 (M=Ge, Sn)

Electronic Structure and Bonding in CuMO 2 (M = Al, Ga, Y) Delafossite-Type Oxides: An Ab Initio Study

Porosity, structural and fractal study of sol–gel TiO 2–CeO 2 mixed oxides

Color and Conductivity in Cu2O and CuAlO2: A Theoretical Analysis of d10···d10 Interactions in Solid-State Compounds

Color and Conductivity in Cu 2 O and CuAlO 2 : A Theoretical Analysis of d 10 ···d 10 Interactions in Solid-State Compounds

Color and conductivity in Cu2O and CuAlO2 : A theoretical analysis of d10...d10 interactions in solid-state compounds

Electronic Structure and Dynamic Properties of Solid Alkali Cyanides

Synthesis, Crystal Structure, and Electronic Structure of CsCuFeS2

Electron transfer in the insertion of alkali metals in chalcopyrite

Ordering of transition metal atoms in MCuFeS2 (M = Li, Na): electronic structure and Monte Carlo simulations

Electron transfer and electronic structure of KCuFeS 2

Theoretical study of methanethiol adsorbed on GaAs(100) surface

Ordering of transition metal atoms in MCuFeS 2 (M = Li, Na): electronic structure and Monte Carlo simulations

ChemInform Abstract: Preparation, Transport Properties, and Electronic Structure of Quaternary Sulfides Based on Tetrahedral [MS 4 ] 4‐ Units: SrCu 2 MS 4 (M: Ge, Sn)

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