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Jose Antonio Sáez Cases
Jose Antonio Sáez Cases
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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
5782013
Understanding the mechanism of polar Diels–Alder reactions
LR Domingo, JA Sáez
Organic & biomolecular chemistry 7 (17), 3576-3583, 2009
4372009
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
2002008
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
882009
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
792011
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
732006
Supramolecular hydrogels for enzymatically triggered self-immolative drug delivery
JA Sáez, B Escuder, JF Miravet
Tetrahedron 66 (14), 2614-2618, 2010
632010
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
602012
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
582013
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
542014
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
542009
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
502012
Selective catechol-triggered supramolecular gel disassembly
JA Sáez, B Escuder, JF Miravet
Chemical communications 46 (42), 7996-7998, 2010
462010
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
462007
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
442010
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
442010
Experimental and theoretical study on the substitution reactions of aryl 2, 4-dinitrophenyl carbonates with quinuclidines
EA Castro, PR Campodónico, R Contreras, P Fuentealba, JG Santos, ...
Tetrahedron 62 (11), 2555-2562, 2006
412006
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
402003
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
392012
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
392003
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