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Results: 1-25 | 26-28
Results: 1-25/28
A combined experimental and theoretical study of the homogeneous, unimolecular decomposition kinetics of 3-chloropivalic acid in the gas phase
Authors: Chuchani, G Rotinov, A Andres, J Domingo, LR Safont, VS
Citation: G. Chuchani et al., A combined experimental and theoretical study of the homogeneous, unimolecular decomposition kinetics of 3-chloropivalic acid in the gas phase, J PHYS CH A, 105(10), 2001, pp. 1869-1875
A PM3 study of the molecular mechanism for the cycloaddition between cyclopentadiene and protonated pyridine-imine derivatives
Authors: Domingo, LR Oliva, M Andres, J
Citation: Lr. Domingo et al., A PM3 study of the molecular mechanism for the cycloaddition between cyclopentadiene and protonated pyridine-imine derivatives, J MOL ST-TH, 544, 2001, pp. 79-90
A theoretical study of the selectivity for the domino [5+2]/[4+2] cycloadditions of gamma-pyrones bearing tethered alkenes with substituted 1,3-butadienes
Authors: Domingo, LR Zaragoza, RJ
Citation: Lr. Domingo et Rj. Zaragoza, A theoretical study of the selectivity for the domino [5+2]/[4+2] cycloadditions of gamma-pyrones bearing tethered alkenes with substituted 1,3-butadienes, TETRAHEDRON, 57(26), 2001, pp. 5597-5606
Theoretical study on the mechanism of the domino reactions of tertiary alpha-cyano-enamines and dimethyl acetylenedicarboxylate
Authors: Domingo, LR Aurell, MJ
Citation: Lr. Domingo et Mj. Aurell, Theoretical study on the mechanism of the domino reactions of tertiary alpha-cyano-enamines and dimethyl acetylenedicarboxylate, TETRAHEDRON, 57(1), 2001, pp. 169-177
A theoretical study of the molecular mechanism of the reaction between N,N-dimethylmethyleneammonium cation and cyclopentadiene
Authors: Domingo, LR
Citation: Lr. Domingo, A theoretical study of the molecular mechanism of the reaction between N,N-dimethylmethyleneammonium cation and cyclopentadiene, J ORG CHEM, 66(9), 2001, pp. 3211-3214
A theoretical study of the reaction between cyclopentadiene and protonatedimine derivatives: A shift from a concerted to a stepwise molecular mechanism
Authors: Domingo, LR Oliva, M Andres, J
Citation: Lr. Domingo et al., A theoretical study of the reaction between cyclopentadiene and protonatedimine derivatives: A shift from a concerted to a stepwise molecular mechanism, J ORG CHEM, 66(18), 2001, pp. 6151-6157
Using theozymes for designing transition-state analogs for the intramolecular aldol reaction of delta-diketones
Authors: Arno, M Domingo, LR
Citation: M. Arno et Lr. Domingo, Using theozymes for designing transition-state analogs for the intramolecular aldol reaction of delta-diketones, INT J QUANT, 83(6), 2001, pp. 338-347
Theoretical study of 1,3-dipolar cycloaddition reactions with inverse electron demand - A DFT study of the Lewis acid catalyst and solvent effects inthe reaction of nitrones with vinyl ethers
Authors: Domingo, LR
Citation: Lr. Domingo, Theoretical study of 1,3-dipolar cycloaddition reactions with inverse electron demand - A DFT study of the Lewis acid catalyst and solvent effects inthe reaction of nitrones with vinyl ethers, EUR J ORG C, (12), 2000, pp. 2265-2272
A density functional theory study of the chemoselectivity and regioselectivity of the domino cycloaddition reactions of nitroalkenes with substitutedalkenes
Authors: Domingo, LR
Citation: Lr. Domingo, A density functional theory study of the chemoselectivity and regioselectivity of the domino cycloaddition reactions of nitroalkenes with substitutedalkenes, THEOR CH AC, 104(3-4), 2000, pp. 240-246
First synthesis of the chiral mixed O/S ligands, 1,2-sulfinyl thiols: application as chiral proton sources in enantioselective protonations of enolates
Authors: Asensio, G Gavina, P Cuenca, A de Arellano, MCR Domingo, LR Medio-Simon, M
Citation: G. Asensio et al., First synthesis of the chiral mixed O/S ligands, 1,2-sulfinyl thiols: application as chiral proton sources in enantioselective protonations of enolates, TETRAHEDR-A, 11(17), 2000, pp. 3481-3493
A DFT study of the domino inter [4+2]/intra [3+2] cycloaddition reactions of nitroalkenes with enol ethers
Authors: Domingo, LR Asensio, A
Citation: Lr. Domingo et A. Asensio, A DFT study of the domino inter [4+2]/intra [3+2] cycloaddition reactions of nitroalkenes with enol ethers, J ORG CHEM, 65(4), 2000, pp. 1076-1083
Stereoselective 1,3-dipolar cycloadditions of a chiral nitrone derived from erythrulose. An experimental and DFT theoretical study
Authors: Carda, M Portoles, R Murga, J Uriel, S Marco, JA Domingo, LR Zaragoza, RJ Roper, H
Citation: M. Carda et al., Stereoselective 1,3-dipolar cycloadditions of a chiral nitrone derived from erythrulose. An experimental and DFT theoretical study, J ORG CHEM, 65(21), 2000, pp. 7000-7009
Toward an understanding of the mechanisms of the intramolecular [5+2] cycloaddition reaction of gamma-pyrones bearing tethered alkenes. A theoreticalstudy
Authors: Domingo, LR Zaragoza, RJ
Citation: Lr. Domingo et Rj. Zaragoza, Toward an understanding of the mechanisms of the intramolecular [5+2] cycloaddition reaction of gamma-pyrones bearing tethered alkenes. A theoreticalstudy, J ORG CHEM, 65(18), 2000, pp. 5480-5486
Toward an understanding of the selectivity in domino reactions. A DFT study of the reaction between acetylenedicarboxylic acid and 1,3-bis(2-furyl) propane
Authors: Domingo, LR Picher, MT Andres, J
Citation: Lr. Domingo et al., Toward an understanding of the selectivity in domino reactions. A DFT study of the reaction between acetylenedicarboxylic acid and 1,3-bis(2-furyl) propane, J ORG CHEM, 65(11), 2000, pp. 3473-3477
A DFT characterization of the mechanism for the cycloaddition reaction between 2-methylfuran and acetylenedicarboxylic acid
Authors: Domingo, LR Picher, MT Aurell, MJ
Citation: Lr. Domingo et al., A DFT characterization of the mechanism for the cycloaddition reaction between 2-methylfuran and acetylenedicarboxylic acid, J PHYS CH A, 103(51), 1999, pp. 11425-11430
Theoretical study of the mechanisms for the alkoxyacetic acids decomposition
Authors: Domingo, LR Picher, MT Safont, VS Andres, J Chuchani, G
Citation: Lr. Domingo et al., Theoretical study of the mechanisms for the alkoxyacetic acids decomposition, J PHYS CH A, 103(20), 1999, pp. 3935-3943
Nonlocal (pair site) reactivity from second-order static density response function: Gas- and solution-phase reactivity of the acetaldehyde enolate asa test case
Authors: Contreras, R Domingo, LR Andres, J Perez, P Tapia, O
Citation: R. Contreras et al., Nonlocal (pair site) reactivity from second-order static density response function: Gas- and solution-phase reactivity of the acetaldehyde enolate asa test case, J PHYS CH A, 103(10), 1999, pp. 1367-1375
PM3 study of the domino reaction of nitroalkenes with silyl enol ethers
Authors: Domingo, LR Picher, MT Andres, J
Citation: Lr. Domingo et al., PM3 study of the domino reaction of nitroalkenes with silyl enol ethers, J PHYS ORG, 12(1), 1999, pp. 24-30
Theoretical study of the molecular mechanism of the domino pathways for squarate ester sequential reactions
Authors: Oliva, M Domingo, LR Safont, VS Andres, J Castillo, R Moliner, V
Citation: M. Oliva et al., Theoretical study of the molecular mechanism of the domino pathways for squarate ester sequential reactions, J PHYS ORG, 12(1), 1999, pp. 61-68
A combined experimental and theoretical study of the unimolecular elimination kinetics of 2-alkoxypropionic acids in the gas phase
Authors: Rotinov, A Chuchani, G Andres, J Domingo, LR Safont, VS
Citation: A. Rotinov et al., A combined experimental and theoretical study of the unimolecular elimination kinetics of 2-alkoxypropionic acids in the gas phase, CHEM PHYS, 246(1-3), 1999, pp. 1-12
Domino reaction between 2-acylfurans and diethyl azodicarboxylate: a combined experimental, theoretical, X-ray and dynamic NMR study
Authors: Gonzalez-Rosende, ME Sepulveda-Arques, J Zaballos-Garcia, E Domingo, LR Zaragoza, RJ Jennings, WB Lawrence, SE O'Leary, D
Citation: Me. Gonzalez-rosende et al., Domino reaction between 2-acylfurans and diethyl azodicarboxylate: a combined experimental, theoretical, X-ray and dynamic NMR study, J CHEM S P2, (1), 1999, pp. 73-79
Conjugate addition of organolithium reagents to alpha,beta-unsaturated carboxylic acids.
Authors: Aurell, MJ Domingo, LR Mestres, R Munoz, E Zaragoza, RJ
Citation: Mj. Aurell et al., Conjugate addition of organolithium reagents to alpha,beta-unsaturated carboxylic acids., TETRAHEDRON, 55(3), 1999, pp. 815-830
Theoretical study on the molecular mechanism of the domino cycloadditions between dimethyl acetylenedicarboxylate and naphthaleno- and anthracenofuranophane
Authors: Domingo, LR Picher, MT Andres, J Oliva, M
Citation: Lr. Domingo et al., Theoretical study on the molecular mechanism of the domino cycloadditions between dimethyl acetylenedicarboxylate and naphthaleno- and anthracenofuranophane, J ORG CHEM, 64(9), 1999, pp. 3026-3033
Designing a transition state analogue for the disfavored intramolecular Michael addition of 2-(2-hydroxyethyl) acrylate esters
Authors: Arno, M Domingo, LR Andres, J
Citation: M. Arno et al., Designing a transition state analogue for the disfavored intramolecular Michael addition of 2-(2-hydroxyethyl) acrylate esters, J ORG CHEM, 64(25), 1999, pp. 9164-9169
Influence of reactant polarity on the course of the inverse-electron-demand Diels-Alder reaction. A DFT study of regio- and stereoselectivity, presence of Lewis acid catalyst, and inclusion of solvent effects in the reactionbetween nitroethene and substituted ethenes
Authors: Domingo, LR Arno, M Andres, J
Citation: Lr. Domingo et al., Influence of reactant polarity on the course of the inverse-electron-demand Diels-Alder reaction. A DFT study of regio- and stereoselectivity, presence of Lewis acid catalyst, and inclusion of solvent effects in the reactionbetween nitroethene and substituted ethenes, J ORG CHEM, 64(16), 1999, pp. 5867-5875
Risultati: 1-25 | 26-28