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17O NMR as a measure of basicity of alkaline-earth oxide surfaces: A theoretical study

The Journal of chemical physics, 2019-12, Vol.151 (22), p.224705-224705

2019

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Vibrational Properties of CO Adsorbed on Au Single Atom Catalysts on TiO2(101), ZrO2(101), CeO2(111), and LaFeO3(001) Surfaces: A DFT Study

Topics in catalysis, 2022-11, Vol.65 (17-18), p.1573-1586

2022

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Silica vanadic acid [SiO 2 –VO(OH) 2 ] as an efficient heterogeneous catalyst for the synthesis of 1,2-dihydro-1-aryl-3H-naphth[1,2-e][1,3]oxazin-3-one and 2,4,6-triarylpyridine derivatives via anomeric based oxidation

RSC advances, 2015-01, Vol.5 (122), p.100546-100559

2015

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Characterization of Acid and Basic Sites on Zirconia Surfaces and Nanoparticles by Adsorbed Probe Molecules: A Theoretical Study

Topics in catalysis, 2020-12, Vol.63 (19-20), p.1717-1730

2020

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Iso-valent doping of reducible oxides: a comparison of rutile (110) and anatase (101) TiO2 surfaces

Journal of physics. Condensed matter, 2021-12, Vol.33 (49)

2021

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Probing the nature of Lewis acid sites on oxide surfaces with P(CH) NMR: a theoretical analysis

Physical chemistry chemical physics : PCCP, 2022-08, Vol.24 (33), p.19773-19782

2022

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Probing the nature of Lewis acid sites on oxide surfaces with 31 P(CH 3 ) 3 NMR: a theoretical analysis

Physical chemistry chemical physics : PCCP, 2022-08, Vol.24 (33), p.19773-19782

2022

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Probing the nature of Lewis acid sites on oxide surfaces with 31P(CH3)3 NMR: a theoretical analysis

Physical chemistry chemical physics : PCCP, 2022-08, Vol.24 (33), p.19773-19782

2022

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A DFT study of formic acid decomposition on the stoichiometric SnO2 surface as a function of iso-valent doping

Surface science, 2022-04, Vol.718, p.122009, Article 122009

2022

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Iso-valent doping of reducible oxides: a comparison of rutile (110) and anatase (101) TiO 2 surfaces

Journal of physics. Condensed matter, 2021-12, Vol.33 (49), p.494001

2021

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Iso-valent doping of reducible oxides: a comparison of rutile (110) and anatase (101) TiO2surfaces

Journal of physics. Condensed matter, 2021-12, Vol.33 (49)

2021

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pH- and Facet-Dependent Surface Chemistry of TiO2 in Aqueous Environment from First Principles

ACS applied materials & interfaces, 2023-03, Vol.15 (8), p.11216-11224

2023

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Steric and Orbital Effects Induced by Isovalent Dopants on the Surface Chemistry of ZrO 2

ACS catalysis, 2021-01, Vol.11 (2), p.554-567

2021

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DFT Study of 17 O NMR Spectroscopy Applied to Zirconia Surfaces and Nanoparticles

Journal of physical chemistry. C, 2019-09, Vol.123 (35), p.21629-21638

2019

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CO2 Activation on Cu/TiO2 Nanostructures: Importance of Dual Binding Site

Chemistry : a European journal, 2023-06, Vol.29 (36), p.e202300757-n/a

2023

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Extension of the atom by atom scheme of counterpoise method and presentation of its new advantages

The Journal of chemical physics, 2018-08, Vol.149 (6), p.064116-064116

2018

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Where and How Does an Organic Molecule Having a C–X Bond Release X– Anion Like an Inorganic Compound? A Theoretical Study

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2018-09, Vol.122 (38), p.7598-7613

2018

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CO 2 Activation on Cu/TiO 2 Nanostructures: Importance of Dual Binding Site

Chemistry : a European journal, 2023-06, Vol.29 (36), p.e202300757

2023

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New equation for calculating total interaction energy in one noncyclic ABC triad and new insights into cooperativity of noncovalent bonds

Journal of computational chemistry, 2016-12, Vol.37 (32), p.2799-2807

2016

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pH- and Facet-Dependent Surface Chemistry of TiO 2 in Aqueous Environment from First Principles

ACS applied materials & interfaces, 2023-03, Vol.15 (8), p.11216-11224

2023

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pH Dependence of MgO, TiO 2 , and γ-Al 2 O 3 Surface Chemistry from First Principles

Journal of physical chemistry. C, 2022-06, Vol.126 (24), p.10216-10223

2022

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Retraction: [TEATNM] and [TEATCM] as novel catalysts for the synthesis of pyridine-3,5-dicarbonitriles anomeric-based oxidation

New journal of chemistry, 2022-09, Vol.46 (37), p.181-181

2022

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Comment on “A convenient method for preparation of 2-amino-4,6-diphenylnicotinonitrile using HBF4 as an efficient catalyst via an anomeric based oxidation: A joint experimental and theoretical study” [J. Mol. Struct. 1137 (2017) 674-680]

Journal of molecular structure, 2018-02, Vol.1154, p.587-589

2018

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Erratum to “Comment on “A convenient method for preparation of 2-amino-4,6- diphenylnicotinonitrile using HBF4 as an efficient catalyst via an anomeric based oxidation: A joint experimental and theoretical study” [J. Mol. Struct. 1137 (2017) 674–680]” [J. Mol. Struct. 1154 (2018) 587–589]

Journal of molecular structure, 2018-03, Vol.1156, p.632-632

2018

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Comment on “A convenient method for preparation of 2-amino-4,6-diphenylnicotinonitrile using HBF 4 as an efficient catalyst via an anomeric based oxidation: A joint experimental and theoretical study” [J. Mol. Struct. 1137 (2017) 674-680]

Journal of molecular structure, 2018-02, Vol.1154, p.587-589

2018

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17O NMR as a measure of basicity of alkaline-earth oxide surfaces: A theoretical study

Vibrational Properties of CO Adsorbed on Au Single Atom Catalysts on TiO2(101), ZrO2(101), CeO2(111), and LaFeO3(001) Surfaces: A DFT Study

Silica vanadic acid [SiO 2 –VO(OH) 2 ] as an efficient heterogeneous catalyst for the synthesis of 1,2-dihydro-1-aryl-3H-naphth[1,2-e][1,3]oxazin-3-one and 2,4,6-triarylpyridine derivatives via anomeric based oxidation

Characterization of Acid and Basic Sites on Zirconia Surfaces and Nanoparticles by Adsorbed Probe Molecules: A Theoretical Study

Iso-valent doping of reducible oxides: a comparison of rutile (110) and anatase (101) TiO2 surfaces

Probing the nature of Lewis acid sites on oxide surfaces with P(CH) NMR: a theoretical analysis

Probing the nature of Lewis acid sites on oxide surfaces with 31 P(CH 3 ) 3 NMR: a theoretical analysis

Probing the nature of Lewis acid sites on oxide surfaces with 31P(CH3)3 NMR: a theoretical analysis

A DFT study of formic acid decomposition on the stoichiometric SnO2 surface as a function of iso-valent doping

Iso-valent doping of reducible oxides: a comparison of rutile (110) and anatase (101) TiO 2 surfaces

Iso-valent doping of reducible oxides: a comparison of rutile (110) and anatase (101) TiO2surfaces

pH- and Facet-Dependent Surface Chemistry of TiO2 in Aqueous Environment from First Principles

Steric and Orbital Effects Induced by Isovalent Dopants on the Surface Chemistry of ZrO 2

DFT Study of 17 O NMR Spectroscopy Applied to Zirconia Surfaces and Nanoparticles

CO2 Activation on Cu/TiO2 Nanostructures: Importance of Dual Binding Site

Extension of the atom by atom scheme of counterpoise method and presentation of its new advantages

Where and How Does an Organic Molecule Having a C–X Bond Release X– Anion Like an Inorganic Compound? A Theoretical Study

CO 2 Activation on Cu/TiO 2 Nanostructures: Importance of Dual Binding Site

New equation for calculating total interaction energy in one noncyclic ABC triad and new insights into cooperativity of noncovalent bonds

pH- and Facet-Dependent Surface Chemistry of TiO 2 in Aqueous Environment from First Principles

pH Dependence of MgO, TiO 2 , and γ-Al 2 O 3 Surface Chemistry from First Principles

Retraction: [TEATNM] and [TEATCM] as novel catalysts for the synthesis of pyridine-3,5-dicarbonitriles anomeric-based oxidation

Comment on “A convenient method for preparation of 2-amino-4,6-diphenylnicotinonitrile using HBF4 as an efficient catalyst via an anomeric based oxidation: A joint experimental and theoretical study” [J. Mol. Struct. 1137 (2017) 674-680]

Comment on “A convenient method for preparation of 2-amino-4,6-diphenylnicotinonitrile using HBF 4 as an efficient catalyst via an anomeric based oxidation: A joint experimental and theoretical study” [J. Mol. Struct. 1137 (2017) 674-680]

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