Works matching AU Domingo, Luis R.

Results: 101

MEDT analysis of mechanism and selectivities in non-catalyzed and lewis acid-catalyzed diels–alder reactions between R-carvone and isoprene.

Published in:

Scientific Reports, 2024, v. 14, n. 1, p. 1, doi. 10.1038/s41598-024-67351-9

By:

Idrissi, Khadija El;
Abdoul-Hakim, Mohamed;
Saleh, Na'il;
Garmes, Hocine;
Syed, Asad;
Ríos-Gutiérrez, Mar;
Paray, Bilal Ahamad;
Verma, Meenakshi;
Zeroual, Abdellah;
Domingo, Luis R.

Publication type:

Article

Deciphering the Mechanism of Silver Catalysis of "Click" Chemistry in Water by Combining Experimental and MEDT Studies †.

Published in:

Catalysts (2073-4344), 2020, v. 10, n. 9, p. 956, doi. 10.3390/catal10090956

By:

Ben El Ayouchia, Hicham;
Bahsis, Lahoucine;
Fichtali, Ismail;
Domingo, Luis R.;
Ríos-Gutiérrez, Mar;
Julve, Miguel;
Stiriba, Salah-Eddine

Publication type:

Article

Clicking Azides and Alkynes with Poly(pyrazolyl)borate-Copper(I) Catalysts: An Experimental and Computational Study.

Published in:

Catalysts (2073-4344), 2019, v. 9, n. 8, p. 687, doi. 10.3390/catal9080687

By:

Bahsis, Lahoucine;
Ben El Ayouchia, Hicham;
Anane, Hafid;
Ramirez de Arellano, Carmen;
Bentama, Abdeslem;
El Hadrami, El Mestafa;
Julve, Miguel;
Domingo, Luis R.;
Stiriba, Salah-Eddine

Publication type:

Article

[3 + 2] Cycloadditions in Asymmetric Synthesis of Spirooxindole Hybrids Linked to Triazole and Ferrocene Units: X-ray Crystal Structure and MEDT Study of the Reaction Mechanism.

Published in:

Symmetry (20738994), 2022, v. 14, n. 10, p. N.PAG, doi. 10.3390/sym14102071

By:

Al-Rasheed, Hessa H.;
Al-Majid, Abdullah Mohammed;
Ali, M.;
Haukka, Matti;
Ramadan, Sherif;
Soliman, Saied M.;
El-Faham, Ayman;
Domingo, Luis R.;
Barakat, Assem

Publication type:

Article

Exploring Two-State Reaction Pathways in the Photodimerization of Cyclohexadiene.

Published in:

ChemPhysChem, 2006, v. 7, n. 3, p. 614, doi. 10.1002/cphc.200500431

By:

Domingo, Luis R.;
Pérez-Prieto, Julia

Publication type:

Article

Diastereomeric Differentiation in the Quenching of Excited States by Hydrogen Donors ( Financial support by MCYT (Grant no. BQU2001-2725) is gratefully acknowledged. U.P. thanks the Deutsche Forschungsgemeinschaft for a research fellowship. ).

Published in:

Angewandte Chemie, 2003, v. 115, n. 22, p. 2635, doi. 10.1002/ange.200250442

By:

Uwe Pischel;
Sergio Abad;
Luis R. Domingo;
Francisco Boscá;
Miguel A. Miranda

Publication type:

Article

A MEDT study of the mechanism and selectivity of the hetero-Diels–Alder reaction between 3-benzoylpyrrolo[1,2-c][1,4]-benzoxazine-1,2,4-trione and vinyl acetate.

Published in:

Chemistry of Heterocyclic Compounds, 2023, v. 59, n. 3, p. 165, doi. 10.1007/s10593-023-03178-y

By:

Ameur, Soukaina;
Barhoumi, Ali;
Ríos-Gutiérrez, Mar;
Aitouna, Anas Ouled;
Abdallaoui, Habib El Alaoui El;
Mazoir, Noureddine;
Belghiti, Mohammed Elalaoui;
Syed, Asad;
Zeroual, Abdellah;
Domingo, Luis R.

Publication type:

Article

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

Published in:

Organics, 2022, v. 3, n. 2, p. 122, doi. 10.3390/org3020010

By:

Ríos-Gutiérrez, Mar;
Barakat, Assem;
Domingo, Luis R.

Publication type:

Article

Study of N‐methyl‐5‐nitroindazolylacrylonitriles as a Function of Quantum Parameters Employing Density Function Theory Methods: Comparative Theoretical Study and Nonlinear Optical Properties.

Published in:

ChemistrySelect, 2023, v. 8, n. 14, p. 1, doi. 10.1002/slct.202300669

By:

Moumad, Aziz;
Bouhaoui, Abderrazzak;
Eddahmi, Mohammed;
Hafid, Abderrafia;
Domingo, Luis R.;
Bouissane, Latifa

Publication type:

Article

Unveiling the cb‐type Intramolecular [3+2] Cycloaddition Reactions of Fluorinated Azomethine Ylides to Ester Carbonyls with a Molecular Electron Density Theory Perspective.

Published in:

ChemistrySelect, 2022, v. 7, n. 24, p. 1, doi. 10.1002/slct.202201845

By:

Domingo, Luis R.;
Ríos‐Gutiérrez, M.;
Acharjee, Nivedita

Publication type:

Article

Does Cr(CO)<sub>3</sub> Really behave as Catalyst in the Diels‐Alder Reaction of Styrene with Cyclopentadiene? A Molecular Electron Density Theory Study.

Published in:

ChemistrySelect, 2022, v. 7, n. 24, p. 1, doi. 10.1002/slct.202201435

By:

Domingo, Luis R.;
Aurell, María José;
Ríos‐Gutiérrez, Mar

Publication type:

Article

Synthesis of Spirooxindole Analogs Tethered Pyrazole Scaffold as Acetylcholinesterase Inhibitors.

Published in:

ChemistrySelect, 2021, v. 6, n. 48, p. 14039, doi. 10.1002/slct.202103255

By:

Shahidul Islam, Mohammad;
Al‐Majid, Abdullah Mohammed;
Azam, Mohammad;
Prakash Verma, Ved;
Barakat, Assem;
Haukka, Matti;
Domingo, Luis R.;
Elgazar, Abdullah A.;
Mira, Amira;
Badria, Farid A.

Publication type:

Article

Unveiling the Substituent Effects in the Stereochemistry of [3+2] Cycloaddition Reactions of Aryl‐ and Alkyldiazomethylphosphonates with Norbornadiene within a MEDT Perspective.

Published in:

ChemistrySelect, 2021, v. 6, n. 39, p. 10722, doi. 10.1002/slct.202102942

By:

Domingo, Luis R;
Acharjee, Nivedita

Publication type:

Article

Theoretical Studies on the Mechanism of the Formation of Cyclopentadienes and Dihydropyridazines.

Published in:

ChemistrySelect, 2021, v. 6, n. 37, p. 9806, doi. 10.1002/slct.202102928

By:

Hallooman, Dhanashree;
Rhyman, Lydia;
Dalkılıç, Erdin;
Daştan, Arif;
Elzagheid, Mohamed I.;
Domingo, Luis R.;
Ramasami, Ponnadurai

Publication type:

Article

Unveiling the Chemo‐ and Regioselectivity of the [3+2] Cycloaddition Reaction between 4‐Chlorobenzonitrile Oxide and β‐Aminocinnamonitrile with a MEDT Perspective**.

Published in:

ChemistrySelect, 2021, v. 6, n. 18, p. 4521, doi. 10.1002/slct.202100978

By:

Domingo, Luis R;
Acharjee, Nivedita

Publication type:

Article

A Study of the Effects of the Lewis Acid Catalysts on Oxa‐Diels‐Alder Reactions through Molecular Electron Density Theory.

Published in:

ChemistrySelect, 2020, v. 5, n. 17, p. 5341, doi. 10.1002/slct.202001061

By:

Emamian, Saeedreza;
Domingo, Luis R.;
Javad Hosseini, Seyed;
Ali‐Asgari, Safa

Publication type:

Article

[3+2] Cycloaddition Reaction of C‐Phenyl‐N‐methyl Nitrone to Acyclic‐Olefin‐Bearing Electron‐Donating Substituent: A Molecular Electron Density Theory Study.

Published in:

ChemistrySelect, 2018, v. 3, n. 28, p. 8373, doi. 10.1002/slct.201801528

By:

Domingo, Luis R.;
Acharjee, Nivedita

Publication type:

Article

Molecular Electron Density Theory Study of Fused Regioselectivity in the Intramolecular [3+2] Cycloaddition Reaction of Cyclic Nitrones.

Published in:

ChemistrySelect, 2018, v. 3, n. 19, p. 5412, doi. 10.1002/slct.201800224

By:

Domingo, Luis R.;
Ríos‐Gutiérrez, Mar;
Adjieufack, Abel I.;
Ndassa, Ibrahim M.;
Nouhou, Cyrille N.;
Mbadcam, Joseph K.

Publication type:

Article

Understanding the Intramolecular Diels‐Alder Reactions of N‐Substituted N‐Allyl‐Furfurylamines: An MEDT Study.

Published in:

ChemistrySelect, 2017, v. 2, n. 30, p. 9736, doi. 10.1002/slct.201702136

By:

Hallooman, Dhanashree;
Cudian, Davina;
Ríos‐Gutiérrez, Mar;
Rhyman, Lydia;
Alswaidan, Ibrahim A.;
Elzagheid, Mohamed I.;
Domingo, Luis R.;
Ramasami, Ponnadurai

Publication type:

Article

A DFT Study of the Conversion of Ptaquiloside, a Bracken Fern Carcinogen, to Pterosin B in Neutral and Acidic Aqueous Medium.

Published in:

ChemistrySelect, 2017, v. 2, n. 26, p. 8178, doi. 10.1002/slct.201701409

By:

Ríos‐Gutiérrez, Mar;
Domingo, Luis R.;
Alonso‐Amelot, Miguel E.

Publication type:

Article

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.

Published in:

Journal of Enzyme Inhibition & Medicinal Chemistry, 2023, v. 38, n. 1, p. 1, doi. 10.1080/14756366.2023.2281260

By:

Barakat, Assem;
Alshahrani, Saeed;
Al-Majid, Abdullah Mohammed;
Alamary, Abdullah Saleh;
Haukka, Matti;
Abu-Serie, Marwa M.;
Domingo, Luis R.;
Ashraf, Sajda;
Ul-Haq, Zaheer;
Nafie, Mohamed S.;
Teleb, Mohamed

Publication type:

Article

Understanding the [2n+2n] reaction mechanism between a carbenoid intermediate and CO 2.

Published in:

Molecular Physics, 2016, v. 114, n. 7/8, p. 1374, doi. 10.1080/00268976.2016.1142127

By:

Domingo, Luis R.;
Ríos-Gutiérrez, Mar;
Pérez, Patricia;
Chamorro, Eduardo

Publication type:

Article

Synthesis, Molecular Electron Density Theory Study, Molecular Docking, and Pharmacological Evaluation of New Coumarin–Sulfonamide–Nitroindazolyl–Triazole Hybrids as Monoamine Oxidase Inhibitors.

Published in:

International Journal of Molecular Sciences, 2024, v. 25, n. 12, p. 6803, doi. 10.3390/ijms25126803

By:

Eddahmi, Mohammed;
La Spada, Gabriella;
Domingo, Luis R.;
Vergoten, Gérard;
Bailly, Christian;
Catto, Marco;
Bouissane, Latifa

Publication type:

Article

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.

Published in:

International Journal of Molecular Sciences, 2022, v. 23, n. 19, p. 11861, doi. 10.3390/ijms231911861

By:

Barakat, Assem;
Mostafa, Ahmed;
Ali, M.;
Al-Majid, Abdullah Mohammed;
Domingo, Luis R.;
Kutkat, Omnia;
Moatasim, Yassmin;
Zia, Komal;
Ul-Haq, Zaheer;
Elshaier, Yaseen A. M. M.

Publication type:

Article

The Mysticism of Pericyclic Reactions: A Contemporary Rationalisation of Organic Reactivity Based on Electron Density Analysis.

Published in:

European Journal of Organic Chemistry, 2018, v. 2018, n. 9, p. 1107, doi. 10.1002/ejoc.201701350

By:

Domingo, Luis R.;
Ríos‐Gutiérrez, Mar;
Silvi, Bernard;
Pérez, Patricia

Publication type:

Article

A DFT Study of Inter- and Intramolecular Aryne Ene Reactions.

Published in:

European Journal of Organic Chemistry, 2015, v. 2015, n. 13, p. 2826, doi. 10.1002/ejoc.201500139

By:

Pérez, Patricia;
Domingo, Luis R.

Publication type:

Article

Efficient Synthesis of 5-Chalcogenyl-1,3-oxazin-2-ones by Chalcogen-Mediated Yne-Carbamate Cyclisation: An Experimental and Theoretical Study.

Published in:

European Journal of Organic Chemistry, 2015, v. 2015, n. 5, p. 1020, doi. 10.1002/ejoc.201403169

By:

Monleón, Alicia;
Blay, Gonzalo;
Domingo, Luis R.;
Muñoz, M. Carmen;
Pedro, José R.

Publication type:

Article

Unveiling Intramolecular [3+2] Cycloaddition Reactions Leading to Functionalized Heterocycles in the Light of Molecular Electron Density Theory.

Published in:

ChemPhysChem, 2025, v. 26, n. 7, p. 1, doi. 10.1002/cphc.202401106

By:

Mondal, Bhaskar;
Domingo, Luis R;
Mohammad‐Salim, Haydar A.;
Acharjee, Nivedita

Publication type:

Article

CONVERSION OF RESIN ACIDS INTO STEROIDAL COMPOUNDS. A REVIEW.

Published in:

Organic Preparations & Procedures International, 1991, v. 23, n. 3, p. 321, doi. 10.1080/00304949109458209

By:

Abad, Antonio;
Agulló, Consuelo;
Arnó, Manuel;
Domingo, Luis R.;
Zaragozá, Ramón J.

Publication type:

Article

Electronic fluxes during diels-alder reactions involving 1,2-benzoquinones: mechanistic insights from the analysis of electron localization function and catastrophe theory.

Published in:

Journal of Computational Chemistry, 2012, v. 33, n. 30, p. 2400, doi. 10.1002/jcc.23085

By:

González-Navarrete, Patricio;
Domingo, Luis R.;
Andrés, Juan;
Berski, Slawomir;
Silvi, Bernard

Publication type:

Article

Does a fluorinated Lewis acid catalyst change the molecular mechanism of the decomposition process of nitroethyl carboxylates?

Published in:

Research on Chemical Intermediates, 2018, v. 44, n. 1, p. 325, doi. 10.1007/s11164-017-3106-1

By:

Kącka, Agnieszka;
Domingo, Luis R.;
Jasiński, Radomir

Publication type:

Article

Revealing the influence of tether length on the intramolecular [3 + 2] cycloaddition reactions of nitrones from the molecular electron density theory perspective.

Published in:

Journal of Physical Organic Chemistry, 2024, v. 37, n. 1, p. 1, doi. 10.1002/poc.4574

By:

Mondal, Asmita;
Domingo, Luis R.;
Acharjee, Nivedita

Publication type:

Article

Electrophilicity and nucleophilicity scales at different DFT computational levels.

Published in:

Journal of Physical Organic Chemistry, 2023, v. 36, n. 7, p. 1, doi. 10.1002/poc.4503

By:

Ríos‐Gutiérrez, Mar;
Saz Sousa, Alejandro;
Domingo, Luis R.

Publication type:

Article

Unveiling the high reactivity of strained dibenzocyclooctyne in [3 + 2] cycloaddition reactions with diazoalkanes through the molecular electron density theory.

Published in:

Journal of Physical Organic Chemistry, 2020, v. 33, n. 11, p. 1, doi. 10.1002/poc.4100

By:

Domingo, Luis R.;
Acharjee, Nivedita

Publication type:

Article

A molecular electron density theory study of the Grignard reagent‐mediated regioselective direct synthesis of 1,5‐disubstituted‐1,2,3‐triazoles.

Published in:

Journal of Physical Organic Chemistry, 2020, v. 33, n. 8, p. 1, doi. 10.1002/poc.4062

By:

Domingo, Luis R.;
Acharjee, Nivedita

Publication type:

Article

A molecular electron density theory study of the Lewis acid–catalyzed decomposition reaction of nitroethyl benzoate using aluminum derivatives.

Published in:

Journal of Physical Organic Chemistry, 2019, v. 32, n. 6, p. N.PAG, doi. 10.1002/poc.3938

By:

Kącka‐Zych, Agnieszka;
Ríos‐Gutiérrez, Mar;
Domingo, Luis R.

Publication type:

Article

A Molecular Electron Density Theory Study of the Lewis Acid Catalyzed [3+2] Cycloaddition Reactions of Nitrones with Nucleophilic Ethylenes.

Published in:

European Journal of Organic Chemistry, 2022, v. 2022, n. 3, p. 1, doi. 10.1002/ejoc.202101417

By:

Domingo, Luis R.;
Ríos‐Gutiérrez, Mar;
Acharjee, Nivedita

Publication type:

Article

Unveiling the Reactivity of Cyclic Azomethine Ylides in [3+2] Cycloaddition Reactions within the Molecular Electron Density Theory.

Published in:

European Journal of Organic Chemistry, 2020, v. 2020, n. 37, p. 5938, doi. 10.1002/ejoc.202000745

By:

Domingo, Luis R.;
Kula, Karolina;
Ríos‐Gutiérrez, Mar

Publication type:

Article

Aziridination of Aromatic Aldimines Through Stabilized Ammonium Ylides: A Molecular Electron Density Theory Study.

Published in:

European Journal of Organic Chemistry, 2019, v. 2019, n. 7, p. 1605, doi. 10.1002/ejoc.201801763

By:

Emamian, Saeedreza;
Domingo, Luis R.;
Ríos‐Gutiérrez, Mar;
Zahedi, Ehsan;
Hosseini, Seyed Javad

Publication type:

Article

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

Published in:

European Journal of Organic Chemistry, 2019, v. 2019, n. 2/3, p. 267, doi. 10.1002/ejoc.201800916

By:

Ríos‐Gutiérrez, Mar;
Domingo, Luis R.

Publication type:

Article

Diastereomeric Differentiation in the Quenching of Excited States by Hydrogen Donors ( Financial support by MCYT (Grant no. BQU2001-2725) is gratefully acknowledged. U.P. thanks the Deutsche Forschungsgemeinschaft for a research fellowship. ).

Published in:

Angewandte Chemie International Edition, 2003, v. 42, n. 22, p. 2531, doi. 10.1002/anie.200250442

By:

Uwe Pischel;
Sergio Abad;
Luis R. Domingo;
Francisco Boscá;
Miguel A. Miranda

Publication type:

Article

Synthesis of Densely Functionalised 5-Halogen-1,3-oxazin-2-ones by Halogen-Mediated Regioselective Cyclisation of N-Cbz-Protected Propargylic Amines: A Combined Experimental and Theoretical Study.

Published in:

Chemistry - A European Journal, 2013, v. 19, n. 44, p. 14852, doi. 10.1002/chem.201302089

By:

Monleón, Alicia;
Blay, Gonzalo;
Domingo, Luis R.;
Muñoz, M. Carmen;
Pedro, José R.

Publication type:

Article

Controlled Rearrangement of Lactam-Tethered Allenols with Brominating Reagents: A Combined Experimental and Theoretical Study on α- versus β-Keto Lactam Formation.

Published in:

Chemistry - A European Journal, 2011, v. 17, n. 41, p. 11559, doi. 10.1002/chem.201101160

By:

Alcaide, Benito;
Almendros, Pedro;
Luna, Amparo;
Cembellín, Sara;
Arnó, Manuel;
Domingo, Luis R.

Publication type:

Article

Unveiling the Chemistry of Higher-Order Cycloaddition Reactions within the Molecular Electron Density Theory.

Published in:

Chemistry (2624-8549), 2022, v. 4, n. 3, p. 735, doi. 10.3390/chemistry4030052

By:

Domingo, Luis R.;
Ríos-Gutiérrez, Mar;
Pérez, Patricia

Publication type:

Article

Unveiling the Intramolecular Ionic Diels–Alder Reactions within Molecular Electron Density Theory.

Published in:

Chemistry (2624-8549), 2021, v. 3, n. 3, p. 834, doi. 10.3390/chemistry3030061

By:

Domingo, Luis R.;
Ríos-Gutiérrez, Mar;
Aurell, María José

Publication type:

Article

A molecular electron density theory study for [3 + 2] cycloaddition reactions of 1‐pyrroline‐1‐oxide with disubstituted acetylenes leading to bicyclic 4‐isoxazolines.

Published in:

International Journal of Quantum Chemistry, 2021, v. 121, n. 5, p. 1, doi. 10.1002/qua.26503

By:

Mohammad‐Salim, Haydar A.;
Acharjee, Nivedita;
Domingo, Luis R.;
Abdallah, Hassan H.

Publication type:

Article

An MEDT study of the mechanism and selectivities of the [3+2] cycloaddition reaction of tomentosin with benzonitrile oxide.

Published in:

International Journal of Quantum Chemistry, 2019, v. 119, n. 18, p. N.PAG, doi. 10.1002/qua.25980

By:

Zeroual, Abdellah;
Ríos‐Gutiérrez, Mar;
El Idrissi, Mohammed;
El Alaoui El Abdallaoui, Habib;
Domingo, Luis R.

Publication type:

Article

Understanding the reactivity and regioselectivity of [3 + 2] cycloaddition reactions between substituted nitrile oxides and methyl acrylate. A molecular electron density theory study.

Published in:

International Journal of Quantum Chemistry, 2017, v. 117, n. 24, p. n/a, doi. 10.1002/qua.25451

By:

Ndassa, Ibrahim Mbouombouo;
Adjieufack, Abel Idrice;
Mbadcam Ketcha, Joseph;
Berski, Slawomir;
Ríos‐Gutiérrez, Mar;
Domingo, Luis R.

Publication type:

Article

On the Catalytic Effect of Water in the Intramolecular Diels-Alder Reaction of Quinone Systems: A Theoretical Study.

Published in:

Molecules, 2012, v. 17, n. 11, p. 13687, doi. 10.3390/molecules171113687

By:

Soto-Delgado, Jorge;
Aizman, Arie;
Contreras, Renato;
Domingo, Luis R.

Publication type:

Article

Understanding the Mechanism of the Intramolecular Stetter Reaction. A DFT Study.

Published in:

Molecules, 2012, v. 17, n. 2, p. 1335, doi. 10.3390/molecules17021335

By:

Domingo, Luis R.;
Zaragozá, Ramón J.;
Saéz, Jose A.;
Arnó, Manuel

Publication type:

Article