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Mechanistic Aspects of the Abstraction of an Allylic Hydrogen in the Chlorine Atom Reaction with 2-Methyl-1,3-Butadiene (Isoprene)

Journal of the American Chemical Society, 2001-10, Vol.123 (42), p.10348-10353

2001

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Anomeric Effect in 1,3-Dioxole: A Theoretical Study

Journal of the American Chemical Society, 1996-10, Vol.118 (41), p.9850-9854

1996

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Ab initio study of the Lewis acid-catalyzed Diels-Alder reaction of sulfur dioxide with isoprene: regioselectivity and stereoselectivity

Journal of the American Chemical Society, 1994-01, Vol.116 (2), p.763-764

1994

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Theoretical study of the gas-phase addition of HF and HCl to ethylene: Analysis of the catalytic action of dimeric halides

Journal of computational chemistry, 1995-06, Vol.16 (6), p.659-666

1995

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On the origin of the endo/exo selectivity in Diels–Alder reactions

Chemical communications (Cambridge, England), 1998 (3), p.385-386

1998

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Sulfur Dioxide Promotes Its Hetero-Diels−Alder and Cheletropic Additions to 1,2-Dimethylidenecyclohexane

Journal of the American Chemical Society, 1998-12, Vol.120 (50), p.13276-13277

1998

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Theoretical study of adsorption of hydrocarbons on graphite

Journal of computational chemistry, 1990-04, Vol.11 (3), p.291-296

1990

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Bis(allyl)−Ruthenium(IV) Complexes as Highly Efficient Catalysts for the Redox Isomerization of Allylic Alcohols into Carbonyl Compounds in Organic and Aqueous Media: Scope, Limitations, and Theoretical Analysis of the Mechanism

Journal of the American Chemical Society, 2006-02, Vol.128 (4), p.1360-1370

2006

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Molecular associations: Values of the expansion parameters for new classes of atoms

Journal of computational chemistry, 1986-02, Vol.7 (1), p.55-57

1986

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Theoretical study of the tautomeric equilibrium of 4(1H)-pyridinone in solution

Journal of the American Chemical Society, 1985-12, Vol.107 (25), p.7569-7572

1985

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Doping of Polyaniline by Acid−Base Chemistry: Density Functional Calculations with Periodic Boundary Conditions

Journal of the American Chemical Society, 2005-08, Vol.127 (32), p.11318-11327

2005

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Analysis of potential energy surfaces

Journal of chemical education, 1988-08, Vol.65 (8), p.665

1988

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An exercise on the theory of complex spectra

Journal of chemical education, 1985-06, Vol.62 (6), p.468

1985

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Trajectory calculations by the rolling ball model

Journal of chemical education, 1985-06, Vol.62 (6), p.491

1985

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Unfavourable orbital overlap at the transition state of a symmetry allowed reaction : a theoretical analysis

Journal of the Chemical Society. Chemical communications, 1993 (23), p.1751-1753

1993

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Solvent effects on the stereoselectivity of ketene–imine cycloaddition reactions

Journal of the Chemical Society. Chemical communications, 1995 (16), p.1677-1678

1995

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Solvent effects on hetero Diels-Alder reactions of sulfur dioxide with 1,3-dienes

Journal of the Chemical Society. Chemical communications, 1994 (14), p.1683-1684

1994

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The Configuration Interaction Expansion Is the Exact Solution of the Electronic Schrödinger Equation

Journal of chemical education, 2006-03, Vol.83 (3), p.480

Sordo, José A

2006

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The Hetero-Diels-Alder Addition of Sulfur Dioxide to 1-Fluorobuta-1,3-dienes: The Sofa Conformations Preferred by 6-Fluorosultines (6-Fluoro-3,6-dihydro-1,2-oxathiin-2-oxides) Enjoy Enthalpic and Conformational Anomeric Effects

Chemistry : a European journal, 2002-03, Vol.8 (6), p.1336-1355

2002

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The Hetero-Diels-Alder Addition of Sulfur Dioxide: The Pseudo-Chair Conformation of a 4,5-Dialkylsultine

Chemistry : a European journal, 2003-10, Vol.9 (20), p.4911-4915

2003

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Equilibrium and Kinetic Deuterium Isotope Effects on the Hetero-Diels-Alder Addition of Sulfur Dioxide

Angewandte Chemie International Edition, 2003-08, Vol.42 (33), p.3924-3927

2003

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Hetero-Diels-Alder and Cheletropic Additions of Sulfur Dioxide to 1,2-Dimethylidenecycloalkanes. Determination of Thermochemical and Kinetics Parameters for Reactions in Solution and Comparison with Estimates From Quantum Calculations

Helvetica chimica acta, 2002-03, Vol.85 (3), p.712-732

2002

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The hetero-Diels–Alder addition of sulfur dioxide: structure of the first crystalline sultine. Quantum calculations on the conformations of 6-fluoro-3,6-dihydro-1,2-oxathiine 2-oxides

Chemical communications (Cambridge, England), 2001 (13), p.1214-1215

2001

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17O NMR Spectroscopy of Sulfolenes (2, 5-Dihydrothiophene-1,1-dioxides) and Sultines (3, 6-Dihydro-1,2-oxathiin-2-oxides)-Experiment and Quantum Calculations: Synthesis of 4, 9-Dioxo-1,2-oxathiacyclodecane-2-oxide, a New Heterocycle

Chemistry : a European journal, 2000-05, Vol.6 (10), p.1858-1864

2000

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Ab initio study of the formation of C3H3+ from the reaction of CH3+ with acetylene

Journal of computational chemistry, 1996-05, Vol.17 (7), p.905-909

1996

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Mechanistic Aspects of the Abstraction of an Allylic Hydrogen in the Chlorine Atom Reaction with 2-Methyl-1,3-Butadiene (Isoprene)

Anomeric Effect in 1,3-Dioxole: A Theoretical Study

Ab initio study of the Lewis acid-catalyzed Diels-Alder reaction of sulfur dioxide with isoprene: regioselectivity and stereoselectivity

Theoretical study of the gas-phase addition of HF and HCl to ethylene: Analysis of the catalytic action of dimeric halides

On the origin of the endo/exo selectivity in Diels–Alder reactions

Sulfur Dioxide Promotes Its Hetero-Diels−Alder and Cheletropic Additions to 1,2-Dimethylidenecyclohexane

Theoretical study of adsorption of hydrocarbons on graphite

Bis(allyl)−Ruthenium(IV) Complexes as Highly Efficient Catalysts for the Redox Isomerization of Allylic Alcohols into Carbonyl Compounds in Organic and Aqueous Media: Scope, Limitations, and Theoretical Analysis of the Mechanism

Molecular associations: Values of the expansion parameters for new classes of atoms

Theoretical study of the tautomeric equilibrium of 4(1H)-pyridinone in solution

Doping of Polyaniline by Acid−Base Chemistry: Density Functional Calculations with Periodic Boundary Conditions

Analysis of potential energy surfaces

An exercise on the theory of complex spectra

Trajectory calculations by the rolling ball model

Unfavourable orbital overlap at the transition state of a symmetry allowed reaction : a theoretical analysis

Solvent effects on the stereoselectivity of ketene–imine cycloaddition reactions

Solvent effects on hetero Diels-Alder reactions of sulfur dioxide with 1,3-dienes

The Configuration Interaction Expansion Is the Exact Solution of the Electronic Schrödinger Equation

The Hetero-Diels-Alder Addition of Sulfur Dioxide to 1-Fluorobuta-1,3-dienes: The Sofa Conformations Preferred by 6-Fluorosultines (6-Fluoro-3,6-dihydro-1,2-oxathiin-2-oxides) Enjoy Enthalpic and Conformational Anomeric Effects

The Hetero-Diels-Alder Addition of Sulfur Dioxide: The Pseudo-Chair Conformation of a 4,5-Dialkylsultine

Equilibrium and Kinetic Deuterium Isotope Effects on the Hetero-Diels-Alder Addition of Sulfur Dioxide

Hetero-Diels-Alder and Cheletropic Additions of Sulfur Dioxide to 1,2-Dimethylidenecycloalkanes. Determination of Thermochemical and Kinetics Parameters for Reactions in Solution and Comparison with Estimates From Quantum Calculations

The hetero-Diels–Alder addition of sulfur dioxide: structure of the first crystalline sultine. Quantum calculations on the conformations of 6-fluoro-3,6-dihydro-1,2-oxathiine 2-oxides

17O NMR Spectroscopy of Sulfolenes (2, 5-Dihydrothiophene-1,1-dioxides) and Sultines (3, 6-Dihydro-1,2-oxathiin-2-oxides)-Experiment and Quantum Calculations: Synthesis of 4, 9-Dioxo-1,2-oxathiacyclodecane-2-oxide, a New Heterocycle

Ab initio study of the formation of C3H3+ from the reaction of CH3+ with acetylene

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