Search Results - "Gil Santos, A"

Effect of advancing direction on fatigue life of 316L stainless steel specimens treated by double-sided laser shock peening by Correa, C., Ruiz de Lara, L., Díaz, M., Gil-Santos, A., Porro, J.A., Ocaña, J.L.

“…•Simulations explain the influence of advancing direction on residual stresses.•Fatigue life in laser peened stainless steel 316L specimens can be increased…”
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Eigenstrain simulation of residual stresses induced by laser shock processing in a Ti6Al4V hip replacement by Correa, C., Gil-Santos, A., Porro, J.A., Díaz, M., Ocaña, J.L.

“…[Display omitted] •Eigenstrain method allows to simulate laser shock processing over large areas in 3D-curved specimens.•Laser shock processing induces…”
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A Computational Study on Lewis Acid-Catalyzed Diastereoselective Acyclic Radical Allylation Reactions with Unusual Selectivity Dependence on Temperature and Epimer Precursor by Georgieva, Miglena K, Santos, A. Gil

“…In stereoselective radical reactions, it is accepted that the configuration of the radical precursor has no impact on the levels of stereoinduction, as a…”
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Enantioselective Organocatalytic Intramolecular Diels–Alder Reactions: A Computational Study by Duarte, Filipe J. S, Santos, A. Gil

“…The diastereo- and enantioselectivity obtained experimentally by Christmann in the amine-catalyzed intramolecular Diels–Alder reaction of α,β-unsaturated…”
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Density Functional Study of Proline‐Catalyzed Intramolecular Baylis–Hillman Reactions by Duarte, Filipe J. S., Cabrita, Eurico J., Frenking, Gernot, Santos, A. Gil

“…A rationalization of stereoselectivity: The mechanisms of proline‐catalyzed and imidazole‐co‐catalyzed intramolecular Baylis–Hillman reactions have been…”
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An Alternative Mechanism for Diels–Alder Reactions of Evans Auxiliary Derivatives by Bakalova, Snezhana M., Duarte, Filipe J. S., Georgieva, Miglena K., Cabrita, Eurico J., Santos, A. Gil

“…The mechanism proposed by Evans for the dialkylaluminum chloride promoted Diels–Alder reaction of cyclopentadiene with α,β‐unsaturated N‐acyloxazolidinones has…”
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Lewis Acid Catalyzed Reactions of Chiral Imidazolidinones and Oxazolidinones: Insights on the Role of the Catalyst by Duarte, Filipe J. S, Bakalova, Snezhana M, Cabrita, Eurico J, Gil Santos, A

“…The mechanism proposed by Evans to justify the selectivity obtained in Lewis acid catalyzed Diels–Alder reactions of cyclopentadiene with acyloxazolidinones…”
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Theoretical Study on Chiral Boron Complex‐Promoted Asymmetric Diels‐Alder Cycloadditions by Georgieva, Miglena K., Santos, A. Gil

“…The Diels‐Alder reaction is a very interesting process that has been deeply studied in its achiral version. More recently, in its chiral version, it has also…”
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Catalytic Asymmetric 5-enolexo Aldolizations. A Computational Study by Georgieva, Miglena K, Duarte, Filipe J. S, Queirós, Margarida V. B, Santos, A. Gil

“…The diastereo- and enantioselectivity obtained experimentally by Enders et all. ( Enders D. ; Niemeier O. ; Straver S. Synlett 2006, 3399−3402 ) in the…”
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2,5-Disubstituted Pyrrolidines as Chiral Auxiliaries in Radical Reactions: A Theoretical Approach by Georgieva, Miglena K., Duarte, Filipe J. S., Bakalova, Snezhana M., Santos, A. Gil

“…The radical addition to amides derived from chiral 2,5‐disubstituted pyrrolidines has been theoretically studied by the use of density functional methods and…”
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Asymmetric Intramolecular Aldol Reactions of Substituted 1,7-Dicarbonylic Compounds. A Mechanistic Study by Duarte, F. J. S, Cabrita, E. J, Frenking, G, Santos, A. Gil

“…The diastereo- and enantioselectivity obtained experimentally by List on the proline-catalized intramolecular aldol reaction of substituted 1,7-dicarbonylic…”
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Molecular Interactions and CO2-Philicity in Supercritical CO2. A High-Pressure NMR and Molecular Modeling Study of a Perfluorinated Polymer in scCO2 by Temtem, Márcio, Casimiro, Teresa, Santos, A. Gil, Macedo, Anjos L, Cabrita, Eurico J, Aguiar-Ricardo, Ana

“…The carbon and fluorine chemical shifts of mixtures of carbon dioxide and Krytox, a carboxylic acid end-capped perfluorinated polyether used as stabilizer for…”
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Diels–Alder Reactions of Chiral Isoimidium Salts: A Computational Study by Bakalova, Snezhana M, Gil Santos, A

“…Recently, important efforts have been devoted to asymmetric Diels–Alder (DA) cycloadditions. Several chiral auxiliaries and catalysts were tested, originating…”
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Can Diels-Alder Reactions Lead to trans-Fused Products? A Computational Study of the Competitive [4+2] and [2+4] Cycloaddition of Dienes to [alpha]-Aryl-Substituted Cyclohexenones by Bakalova, Snezhana M, Santos, A Gil

“…The Diels-Alder reaction is one of the most interesting processes known in organic chemistry. Its one-step nature, which allows exceptional control of the…”
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Solvent effects on the absorption and emission of [Re(R2bpy)(CO)3X] complexes and their sensitivity to CO2 in solution by Rodríguez, Laura, Ferrer, Montserrat, Rossell, Oriol, Duarte, Filipe J.S., Gil Santos, A., Lima, João C.

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Comparing spectroscopic and electrochemical properties of complexes of type Cp’M(η3-C3H5)(CO)2 (Cp’ = Cp, Ind, Flu): A complementary experimental and DFT study by Gonçalves, Isabel S., Veiros, Luís F., Gamelas, Carla A., Cabrita, Clara, Calhorda, Maria José, Geraldes, Carlos F.G.C., Green, Jennifer, Packham, Ellen, Drew, Michael G.B., Félix, Vitor, Gil Santos, A., Romão, Carlos C.

“…A series of allyl complexes of the general formula [Cp'Mo(η3-C3H5)(CO)2], where Cp' = Cp, CpMe, Cp*, Ind, IndMe, IndMe2, Flu, and three tungsten analogues, has…”
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Unexpected reactivity of trifluoromethylated olefins with indole: a mechanistic investigation by Estevão, Mónica S., Duarte, Filipe J.S., Fernandes, Eduarda, Santos, A. Gil, Marques, M. Manuel B.

“…Several trifluoromethylated compounds were reacted with indole sodium salt, leading to monofluorinated compounds. The unexpected products formation was…”
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A Computational Study of the Diels−Alder Reaction of Ethyl-S-lactyl Acrylate and Cyclopentadiene. Origins of Stereoselectivity by Bakalova, Snezhana M, Santos, A. Gil

“…The eight diastereoisomeric transition structures of the Diels−Alder addition of ethyl-S-lactyl acrylate and cyclopentadiene have been investigated in the gas…”
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Mechanistic Study of Intramolecular Aldol Reactions of Dialdehydes by Duarte, Filipe J. S., Cabrita, Eurico J., Frenking, Gernot, Santos, A. Gil

“…Transition states associated with the C–C bond‐formation step in proline‐catalyzed intramolecular aldol reactions of 1,7‐dialdehydes were studied using density…”
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Lewis base adducts of bis-(halogeno)dioxomolybdenum(VI): syntheses, structures, and catalytic applications by Kühn, Fritz E, Lopes, André D, Santos, Ana M, Herdtweck, Eberhardt, Haider, Joachim J, Romão, Carlos C, Santos, A.Gil

“…Reaction of solvent substituted MoO 2X 2(Solv) 2 complexes ((Solv)=THF, CH 3CN) with mono- and bidentate nitrogen and oxygen donor ligands leads to complexes…”
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