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Molecular Electron Density Theory: A Modern View of Reactivity in Organic Chemistry

Molecules (Basel, Switzerland), 2016-09, Vol.21 (10), p.1319

Domingo, Luis R

2016

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Applications of the Conceptual Density Functional Theory Indices to Organic Chemistry Reactivity

Molecules, 2016-06, Vol.21 (6), p.748

2016

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Understanding the Reactivity of Captodative Ethylenes in Polar Cycloaddition Reactions. A Theoretical Study

Journal of organic chemistry, 2008-06, Vol.73 (12), p.4615-4624

2008

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Unveiling the Mg() promoted [3+2] cycloaddition reaction of mesitonitrile oxide to Baylis-Hilman adduct from the molecular electron density theory perspective

New journal of chemistry, 2023-01, Vol.47 (5), p.2495-256

2023

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A Molecular Electron Density Theory Study of the Chemoselectivity, Regioselectivity, and Diastereofacial Selectivity in the Synthesis of an Anticancer Spiroisoxazoline derived from α-Santonin

Molecules (Basel, Switzerland), 2019-02, Vol.24 (5), p.832

2019

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Understanding the mechanism of polar Diels-Alder reactions

Organic & biomolecular chemistry, 2009-01, Vol.7 (17), p.3576-3583

2009

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Unveiling the Lewis Acid Catalyzed Diels-Alder Reactions Through the Molecular Electron Density Theory

Molecules (Basel, Switzerland), 2020-05, Vol.25 (11), p.2535

2020

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A Molecular Electron Density Theory Study of the Domino Reaction of N-Phenyl Iminoboranes with Benzaldehyde Yielding Fused Bicyclic Compounds

Molecules (Basel, Switzerland), 2023-08, Vol.28 (17), p.6211

2023

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A Molecular Electron Density Theory Study of the [3+2] Cycloaddition Reaction of an Azomethine Ylide with an Electrophilic Ethylene Linked to Triazole and Ferrocene Units

Molecules (Basel, Switzerland), 2022-10, Vol.27 (19), p.6532

2022

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A DFT Study of Inter- and Intramolecular Aryne Ene Reactions

European journal of organic chemistry, 2015-05, Vol.2015 (13), p.2826-2834

2015

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Unveiling the Different Chemical Reactivity of Diphenyl Nitrilimine and Phenyl Nitrile Oxide in [3+2] Cycloaddition Reactions with (R)-Carvone through the Molecular Electron Density Theory

Molecules (Basel, Switzerland), 2020-02, Vol.25 (5), p.1085

2020

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Understanding Reaction Mechanisms in Organic Chemistry from Catastrophe Theory Applied to the Electron Localization Function Topology

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-08, Vol.112 (31), p.7128-7136

2008

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Understanding the mechanism of non-polar Diels-Alder reactions. A comparative ELF analysis of concerted and stepwise diradical mechanisms

Organic & biomolecular chemistry, 2010-12, Vol.8 (24), p.5495-5504

2010

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A Molecular Electron Density Theory Study of the Synthesis of Spirobipyrazolines through the Domino Reaction of Nitrilimines with Allenoates

Molecules (Basel, Switzerland), 2019-11, Vol.24 (22), p.4159

2019

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Straightforward Regio- and Diastereoselective Synthesis, Molecular Structure, Intermolecular Interactions and Mechanistic Study of Spirooxindole-Engrafted Rhodanine Analogs

Molecules (Basel, Switzerland), 2021-11, Vol.26 (23), p.7276

2021

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The nucleophilicity N index in organic chemistry

Organic & biomolecular chemistry, 2011-10, Vol.9 (20), p.7168-7175

2011

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A Molecular Electron Density Theory Study of the Competitiveness of Polar Diels⁻Alder and Polar Alder-ene Reactions

Molecules (Basel, Switzerland), 2018-07, Vol.23 (8), p.1913

2018

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Unveiling the Ionic Diels-Alder Reactions within the Molecular Electron Density Theory

Molecules (Basel, Switzerland), 2021-06, Vol.26 (12), p.3638

2021

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Design, Synthesis and In Vitro Evaluation of Spirooxindole-Based Phenylsulfonyl Moiety as a Candidate Anti-SAR-CoV-2 and MERS-CoV-2 with the Implementation of Combination Studies

International journal of molecular sciences, 2022-10, Vol.23 (19), p.11861

2022

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A Molecular Electron Density Theory Study of the [3+2] Cycloaddition Reaction of Pseudo(mono)radical Azomethine Ylides with Phenyl Vinyl Sulphone

Organics (Basel), 2022-06, Vol.3 (2), p.122-136

2022

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Quantitative Characterization of the Local Electrophilicity of Organic Molecules. Understanding the Regioselectivity on Diels−Alder Reactions

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2002-07, Vol.106 (29), p.6871-6875

2002

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New Findings on the Diels−Alder Reactions. An Analysis Based on the Bonding Evolution Theory

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2006-12, Vol.110 (51), p.13939-13947

2006

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Unravelling the Mysteries of the [3+2] Cycloaddition Reactions

European journal of organic chemistry, 2019-01, Vol.2019 (2-3), p.267-282

2019

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New spiro-indeno[1,2- b ]quinoxalines clubbed with benzimidazole scaffold as CDK2 inhibitors for halting non-small cell lung cancer; stereoselective synthesis, molecular dynamics and structural insights

Journal of enzyme inhibition and medicinal chemistry, 2023-12, Vol.38 (1), p.2281260-2281260

2023

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A molecular electron density theory study of the participation of tetrazines in aza-Diels-Alder reactions

RSC advances, 2020-04, Vol.1 (26), p.15394-1545

2020

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Molecular Electron Density Theory: A Modern View of Reactivity in Organic Chemistry

Applications of the Conceptual Density Functional Theory Indices to Organic Chemistry Reactivity

Understanding the Reactivity of Captodative Ethylenes in Polar Cycloaddition Reactions. A Theoretical Study

Unveiling the Mg() promoted [3+2] cycloaddition reaction of mesitonitrile oxide to Baylis-Hilman adduct from the molecular electron density theory perspective

A Molecular Electron Density Theory Study of the Chemoselectivity, Regioselectivity, and Diastereofacial Selectivity in the Synthesis of an Anticancer Spiroisoxazoline derived from α-Santonin

Understanding the mechanism of polar Diels-Alder reactions

Unveiling the Lewis Acid Catalyzed Diels-Alder Reactions Through the Molecular Electron Density Theory

A Molecular Electron Density Theory Study of the Domino Reaction of N-Phenyl Iminoboranes with Benzaldehyde Yielding Fused Bicyclic Compounds

A Molecular Electron Density Theory Study of the [3+2] Cycloaddition Reaction of an Azomethine Ylide with an Electrophilic Ethylene Linked to Triazole and Ferrocene Units

A DFT Study of Inter- and Intramolecular Aryne Ene Reactions

Unveiling the Different Chemical Reactivity of Diphenyl Nitrilimine and Phenyl Nitrile Oxide in [3+2] Cycloaddition Reactions with (R)-Carvone through the Molecular Electron Density Theory

Understanding Reaction Mechanisms in Organic Chemistry from Catastrophe Theory Applied to the Electron Localization Function Topology

Understanding the mechanism of non-polar Diels-Alder reactions. A comparative ELF analysis of concerted and stepwise diradical mechanisms

A Molecular Electron Density Theory Study of the Synthesis of Spirobipyrazolines through the Domino Reaction of Nitrilimines with Allenoates

Straightforward Regio- and Diastereoselective Synthesis, Molecular Structure, Intermolecular Interactions and Mechanistic Study of Spirooxindole-Engrafted Rhodanine Analogs

The nucleophilicity N index in organic chemistry

A Molecular Electron Density Theory Study of the Competitiveness of Polar Diels⁻Alder and Polar Alder-ene Reactions

Unveiling the Ionic Diels-Alder Reactions within the Molecular Electron Density Theory

Design, Synthesis and In Vitro Evaluation of Spirooxindole-Based Phenylsulfonyl Moiety as a Candidate Anti-SAR-CoV-2 and MERS-CoV-2 with the Implementation of Combination Studies

A Molecular Electron Density Theory Study of the [3+2] Cycloaddition Reaction of Pseudo(mono)radical Azomethine Ylides with Phenyl Vinyl Sulphone

Quantitative Characterization of the Local Electrophilicity of Organic Molecules. Understanding the Regioselectivity on Diels−Alder Reactions

New Findings on the Diels−Alder Reactions. An Analysis Based on the Bonding Evolution Theory

Unravelling the Mysteries of the [3+2] Cycloaddition Reactions

New spiro-indeno[1,2- b ]quinoxalines clubbed with benzimidazole scaffold as CDK2 inhibitors for halting non-small cell lung cancer; stereoselective synthesis, molecular dynamics and structural insights

A molecular electron density theory study of the participation of tetrazines in aza-Diels-Alder reactions

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