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Influence of substitution of phenyl group by naphthyl in a diphenylthiourea molecule on corrosion inhibition of cold-rolled steel in 0.5 M H2SO4

Journal of materials science, 2006-11, Vol.41 (21), p.7064-7073

2006

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2-Mercapto-1-methylimidazole as corrosion inhibitor for copper in hydrochloric acid

Applied surface science, 2006-11, Vol.253 (3), p.1371-1378

2006

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Understanding the kinetic solvent effects on the 1,3-dipolar cycloaddition of benzonitrile N-oxide: a DFT study

Journal of physical organic chemistry, 2011-07, Vol.24 (7), p.611-618

2011

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A Density Functional Theory Study of the Adsorption of 2-Cyclohexenone on Rh(111)

Advances in Quantum Chemistry, 2014, Vol.68, p.175-190

2014

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2-Mercapto-l-methylimidazole as corrosion inhibitor for copper in hydrochloric acid

Applied surface science, 2006-11, Vol.253 (3), p.1371-1378

2006

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Influence of substitution of phenyl group by naphthyl in a dipheny Ithiourea molecule on corrosion inhibition of cold-rolled steel in 0.5 M H2SO4

Journal of materials science, 2006-11, Vol.41 (21), p.7064-7073

2006

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Influence of substitution of phenyl group by naphthyl in a diphenylthiourea molecule on corrosion inhibition of cold-rolled steel in 0.5 M H sub(2)SO sub(4)

Journal of materials science, 2006-11, Vol.41 (21), p.7064-7073

2006

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Elucidation of the regioselectivity in Diels–Alder reactions by means of theoretical approaches

Journal of molecular structure. Theochem, 2004-11, Vol.709 (1), p.31-34

2004

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Unified analytical treatment of one-electron two-center integrals with noninteger n Slater-type orbitals

Theoretical chemistry accounts, 2000-04, Vol.103 (6), p.463-468

2000

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Reactivity and regioselectivity of five-membered heterocycles in electrophilic aromatic substitution: A theoretical investigation

Journal of molecular structure. Theochem, 2010-02, Vol.941 (1), p.36-40

2010

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Theoretical analysis of the regioselectivity of 1,3-dipolar cycloaddition of C-(methoxycarbonyl)- N-methyl with methyl acrylate and vinyl acetate

Journal of molecular structure. Theochem, 2008-03, Vol.852 (1), p.46-53

2008

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Theoretical study of the mechanism and regioselectivity of the 1,3-dipolar cycloaddition of diazomethane with methyl acrylate using theoretical approaches

Journal of molecular structure. Theochem, 2008-08, Vol.862 (1), p.1-6

2008

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SOLVENT EFFECTS ON THE KETO-ENOL TAUTOMERIC EQUILIBRIUM OF TETRONIC AND ETHYL ACETOACETATE CARBON ACIDS: A THEORETICAL STUDY

Journal of theoretical & computational chemistry, 2010-12, Vol.9 (6), p.1021-1032

2010

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Retraction notice to “Theoretical study of the mechanism, regio- and stereoselectivity of Diels–Alder reactions of 5-aryl-2-pyrones with substituted alkenes” [J. Mol. Struct. (Theochem), 907 (2009) 9–15]

Journal of molecular structure. Theochem, 2010-05, Vol.947 (1), p.124-124

2010

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Elucidation of the substitutent effects on the reaction pathway of the cycloaddition of 1,3-diazabuta-1,3-dienes with ketenes using DFT-based reactivity indexes

Journal of molecular structure. Theochem, 2007-07, Vol.813 (1), p.67-72

2007

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Correlation of aqueous pKa values of carbon acids with theoretical descriptors: A DFT study

Journal of molecular structure. Theochem, 2007-09, Vol.818 (1-3), p.1-6

2007

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AN ANALYSIS OF THE REGIOSELECTIVITY IN HETERO DIELS–ALDER REACTIONS USING DFT-BASED REACTIVITY INDEXES

Journal of theoretical & computational chemistry, 2006-06, Vol.5 (2), p.197-206

2006

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Calculation of the one-electron two-center integrals over Slater-type orbitals by means of the ellipsoidal coordinates method

International journal of quantum chemistry, 1997, Vol.63 (4), p.843-852

1997

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Prediction of the reactivity of 2(5H)-furanones as potential dienophiles in Diels–Alder reactions using philicity indexes

Journal of molecular structure. Theochem, 2007-11, Vol.821 (1), p.42-46

2007

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Understanding the mechanism of the Povarov reaction. A DFT study

RSC advances, 2014-01, Vol.4 (48), p.25268-25278

2014

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Theoretical study of the regio- and stereoselectivity of the intramolecular Povarov reactions yielding 5H-chromeno[2,3-c] acridine derivatives

RSC advances, 2016-01, Vol.6 (19), p.15759-15769

2016

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Elucidation of the Chemo- and Regioselectivity of Polar Diels-Alder Reactions involving Thiophene-1, 1-Dioxides Using DFT-Based Reactivity Indexes

Letters in organic chemistry, 2011-02, Vol.8 (2), p.95-103

2011

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Theoretical study of the regio- and stereoselectivity of the intramolecular Povarov reactions yielding 5H-chromeno[2,3-c] acridine derivativesElectronic supplementary information (ESI) available. See DOI: 10.1039/c5ra25184b

2016-02

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Influence of substitution of phenyl group by naphthyl in a diphenylthiourea molecule on corrosion inhibition of cold-rolled steel in 0.5 M H2SO4

2-Mercapto-1-methylimidazole as corrosion inhibitor for copper in hydrochloric acid

Understanding the kinetic solvent effects on the 1,3-dipolar cycloaddition of benzonitrile N-oxide: a DFT study

A Density Functional Theory Study of the Adsorption of 2-Cyclohexenone on Rh(111)

2-Mercapto-l-methylimidazole as corrosion inhibitor for copper in hydrochloric acid

Influence of substitution of phenyl group by naphthyl in a dipheny Ithiourea molecule on corrosion inhibition of cold-rolled steel in 0.5 M H2SO4

Influence of substitution of phenyl group by naphthyl in a diphenylthiourea molecule on corrosion inhibition of cold-rolled steel in 0.5 M H sub(2)SO sub(4)

Elucidation of the regioselectivity in Diels–Alder reactions by means of theoretical approaches

Unified analytical treatment of one-electron two-center integrals with noninteger n Slater-type orbitals

Reactivity and regioselectivity of five-membered heterocycles in electrophilic aromatic substitution: A theoretical investigation

Theoretical analysis of the regioselectivity of 1,3-dipolar cycloaddition of C-(methoxycarbonyl)- N-methyl with methyl acrylate and vinyl acetate

Theoretical study of the mechanism and regioselectivity of the 1,3-dipolar cycloaddition of diazomethane with methyl acrylate using theoretical approaches

SOLVENT EFFECTS ON THE KETO-ENOL TAUTOMERIC EQUILIBRIUM OF TETRONIC AND ETHYL ACETOACETATE CARBON ACIDS: A THEORETICAL STUDY

Retraction notice to “Theoretical study of the mechanism, regio- and stereoselectivity of Diels–Alder reactions of 5-aryl-2-pyrones with substituted alkenes” [J. Mol. Struct. (Theochem), 907 (2009) 9–15]

Elucidation of the substitutent effects on the reaction pathway of the cycloaddition of 1,3-diazabuta-1,3-dienes with ketenes using DFT-based reactivity indexes

Correlation of aqueous pKa values of carbon acids with theoretical descriptors: A DFT study

AN ANALYSIS OF THE REGIOSELECTIVITY IN HETERO DIELS–ALDER REACTIONS USING DFT-BASED REACTIVITY INDEXES

Calculation of the one-electron two-center integrals over Slater-type orbitals by means of the ellipsoidal coordinates method

Prediction of the reactivity of 2(5H)-furanones as potential dienophiles in Diels–Alder reactions using philicity indexes

Understanding the mechanism of the Povarov reaction. A DFT study

Theoretical study of the regio- and stereoselectivity of the intramolecular Povarov reactions yielding 5H-chromeno[2,3-c] acridine derivatives

Elucidation of the Chemo- and Regioselectivity of Polar Diels-Alder Reactions involving Thiophene-1, 1-Dioxides Using DFT-Based Reactivity Indexes

Theoretical study of the regio- and stereoselectivity of the intramolecular Povarov reactions yielding 5H-chromeno[2,3-c] acridine derivativesElectronic supplementary information (ESI) available. See DOI: 10.1039/c5ra25184b

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