Understanding the local reactivity in polar organic reactions through electrophilic and nucleophilic Parr functions LR Domingo, P Pérez, JA Sáez RSC advances 3 (5), 1486-1494, 2013 | 752 | 2013 |
Understanding the mechanism of polar Diels–Alder reactions LR Domingo, JA Sáez Organic & biomolecular chemistry 7 (17), 3576-3583, 2009 | 513 | 2009 |
Understanding the participation of quadricyclane as nucleophile in polar [2σ+ 2σ+ 2π] cycloadditions toward electrophilic π molecules LR Domingo, JA Saéz, RJ Zaragozá, M Arnó The Journal of organic chemistry 73 (22), 8791-8799, 2008 | 249 | 2008 |
Understanding the electronic reorganization along the nonpolar [3+ 2] cycloaddition reactions of carbonyl ylides. LR Domingo, JA Sáez The Journal of organic chemistry 76 (2), 373-379, 2011 | 110 | 2011 |
Toward an Understanding of the Unexpected Regioselective Hetero-Diels− Alder Reactions of Asymmetric Tetrazines with Electron-Rich Ethylenes: A DFT Study LR Domingo, MT Picher, JA Sáez The Journal of organic chemistry 74 (7), 2726-2735, 2009 | 103 | 2009 |
1, 3-Dipolar cycloadditions of electrophilically activated benzonitrile N-oxides. Polar cycloaddition versus oxime formation LR Domingo, MT Picher, P Arroyo, JA Sáez The Journal of Organic Chemistry 71 (25), 9319-9330, 2006 | 78 | 2006 |
Supramolecular hydrogels for enzymatically triggered self-immolative drug delivery JA Sáez, B Escuder, JF Miravet Tetrahedron 66 (14), 2614-2618, 2010 | 72 | 2010 |
Understanding the mechanism of the Povarov reaction. A DFT study LR Domingo, MJ Aurell, JA Sáez, SM Mekelleche RSC Advances 4 (48), 25268-25278, 2014 | 68 | 2014 |
Origin of the synchronicity in bond formation in polar Diels–Alder reactions: an ELF analysis of the reaction between cyclopentadiene and tetracyanoethylene LR Domingo, P Pérez, JA Sáez Organic & Biomolecular Chemistry 10 (19), 3841-3851, 2012 | 66 | 2012 |
Understanding the regioselectivity in hetero Diels–Alder reactions. An ELF analysis of the reaction between nitrosoethylene and 1-vinylpyrrolidine LR Domingo, P Pérez, JA Sáez Tetrahedron 69 (1), 107-114, 2013 | 65 | 2013 |
Understanding the origin of the asynchronicity in bond-formation in polar cycloaddition reactions. A DFT study of the 1, 3-dipolar cycloaddition reaction of carbonyl ylides … LR Domingo, MJ Aurell, P Pérez, JA Sáez RSC advances 2 (4), 1334-1342, 2012 | 57 | 2012 |
A combined experimental and theoretical study of the polar [3+ 2] cycloaddition of electrophilically activated carbonyl ylides with aldehydes and imines G Bentabed-Ababsa, A Derdour, T Roisnel, JA Sáez, P Pérez, ... The Journal of Organic Chemistry 74 (5), 2120-2133, 2009 | 57 | 2009 |
A comparative analysis of the electrophilicity of organic molecules between the computed IPs and EAs and the HOMO and LUMO energies LR Domingo, JA Sáez, P Pérez Chemical physics letters 438 (4-6), 341-345, 2007 | 53 | 2007 |
Selective catechol-triggered supramolecular gel disassembly JA Sáez, B Escuder, JF Miravet Chemical communications 46 (42), 7996-7998, 2010 | 51 | 2010 |
Stereoisomerization of β-hydroxy-α-sulfenyl-γ-butyrolactones controlled by two concomitant 1, 4-type nonbonded sulfur− oxygen interactions as analyzed by X-ray crystallography FV González, A Jain, S Rodríguez, JA Sáez, C Vicent, G Peris The Journal of Organic Chemistry 75 (17), 5888-5894, 2010 | 46 | 2010 |
A combined experimental and theoretical study of the thermal cycloaddition of aryl azides with activated alkenes S Zeghada, G Bentabed-Ababsa, A Derdour, S Abdelmounim, ... Organic & Biomolecular Chemistry 9 (11), 4295-4305, 2011 | 45 | 2011 |
Understanding the mechanism of the intramolecular Stetter reaction. A DFT study LR Domingo, RJ Zaragozá, JA Saéz, M Arnó Molecules 17 (2), 1335-1353, 2012 | 43 | 2012 |
A DFT study for the regioselective 1, 3-dipolar cycloadditions of nitrile N-oxides toward alkynylboronates JA Sáez, M Arnó, LR Domingo Tetrahedron 59 (46), 9167-9171, 2003 | 43 | 2003 |
Lewis acid-catalyzed [4+ 3] cycloaddition of 2-(trimethyl silyloxy) acrolein with furan. Insight on the nature of the mechanism from a DFT analysis JA Sáez, M Arnó, LR Domingo Organic Letters 5 (22), 4117-4120, 2003 | 43 | 2003 |
Toward an understanding of the acceleration of Diels− Alder reactions by a pseudo-intramolecular process achieved by molecular recognition. A DFT study LR Domingo, MJ Aurell, M Arnó, JA Sáez The Journal of Organic Chemistry 72 (11), 4220-4227, 2007 | 40 | 2007 |