Works matching AU Lledós, Agustí

Results: 103

Tuning N-Heterocyclic Carbenes in T-Shaped PtII Complexes for Intermolecular CH Bond Activation of Arenes.

Published in:

Angewandte Chemie, 2012, v. 124, n. 16, p. 4002, doi. 10.1002/ange.201200070

By:

Rivada-Wheelaghan, Orestes;
Ortuño, Manuel A.;
Díez, Josefina;
Lledós, Agustí;
Conejero, Salvador

Publication type:

Article

Hydroamination of Alkynes with Ammonia: Unforeseen Role of the Gold(I) Catalyst.

Published in:

Angewandte Chemie, 2011, v. 123, n. 47, p. 11343, doi. 10.1002/ange.201105309

By:

Kovács, Gábor;
Lledós, Agustí;
Ujaque, Gregori

Publication type:

Article

Acid-Base Interaction between Transition-Metal Hydrides: Dihydrogen Bonding and Dihydrogen Evolution.

Published in:

Angewandte Chemie, 2011, v. 123, n. 6, p. 1403, doi. 10.1002/ange.201005274

By:

Levina, Vladislava A.;
Rossin, Andrea;
Belkova, Natalia V.;
Chierotti, Michele R.;
Epstein, Lina M.;
Filippov, Oleg A.;
Gobetto, Roberto;
Gonsalvi, Luca;
Lledós, Agustí;
Shubina, Elena S.;
Zanobini, Fabrizio;
Peruzzini, Maurizio

Publication type:

Article

A Measureable Equilibrium between Iridium Hydride Alkylidene and Iridium Hydride Alkene IsomersFinancial support from the DGESIC (Projects BQU2001-1995, COST support, and BQU2002-04110-C02-02), and from the Junta de Andalucía, and EU COST Action WG-D17–003 are gratefully acknowledged. L.L.S. thanks the Spanish Ministry of Education for a grant. G.U. thanks the Spanish MCyT for funding through the “Ramón y Cajal” program. We thank a reviewer for bringing reference 5 to our attention.

Published in:

Angewandte Chemie, 2004, v. 116, n. 28, p. 3794, doi. 10.1002/ange.200454040

By:

Margarita Paneque;
Manuel L. Poveda;
Laura L. Santos;
Ernesto Carmona;
Agustí Lledós;
Gregori Ujaque;
Kurt Mereiter

Publication type:

Article

The Role of Water in the Stereoselective Hydrogenation of 1,2-Diphenylacetylene Catalyzed by the Water-Soluble [{RuCl2(mtppms)2}2].

Published in:

European Journal of Inorganic Chemistry, 2007, v. 2007, n. 18, p. 2879

By:

Gábor Kovács;
Gregori Ujaque;
Agustí Lledós;
Ferenc Joó

Publication type:

Article

Hydrogen Bonding and Proton Transfer to the Trihydride Complex [Cp*MoH3(dppe)]: IR, NMR, and Theoretical Investigations.

Published in:

European Journal of Inorganic Chemistry, 2006, v. 2006, n. 11, p. 2192

By:

Natalia V. Belkova;
Pavel O. Revin;
Maria Besora;
Miguel Baya;
Lina M. Epstein;
Agustí Lledós;
Rinaldo Poli;
Elena S. Shubina;
Evgenii V. Vorontsov

Publication type:

Article

Extending The Reaction Landscape of the {Pt(μ-S)2Pt} Core: From Metal Centers to Non-Metallic Electrophiles.

Published in:

European Journal of Inorganic Chemistry, 2004, v. 2004, n. 18, p. 3585

By:

Pilar González-Duarte;
Agustí Lledós;
Rubén Mas-Ballesté

Publication type:

Article

Graphical Abstract: Eur. J. Inorg. Chem. 18/2004.

Published in:

European Journal of Inorganic Chemistry, 2004, v. 2004, n. 18, p. 3575

By:

Pilar González-Duarte;
Agustí Lledós;
Rubén Mas-Ballesté

Publication type:

Article

A Novel Route to Multinuclear d8 Metal−Chalcogen Compounds with Nuclearity Control.

Published in:

European Journal of Inorganic Chemistry, 2004, v. 2004, n. 16, p. 3223

By:

Rubén Mas-Ballesté;
William Clegg;
Agustí Lledós;
Pilar González-Duarte

Publication type:

Article

Bent and Linear Forms of the (μ-Oxo)bis[trichloroferrate(III)] Dianion: An Intermolecular Effect - Structural, Electronic and Magnetic Properties.

Published in:

European Journal of Inorganic Chemistry, 2003, v. 2003, n. 23, p. 4187

By:

Agustí Lledós;
Marcial Moreno-Mañas;
Mariona Sodupe;
Adelina Vallribera;
Ignasi Mata;
Benjamín Martínez;
Elies Molins

Publication type:

Article

Tripodal BODIPY‐Tagged and Functional Molecular Probes: Synthesis, Computational Investigations and Explorations by Multiphoton Fluorescence Lifetime Imaging Microscopy.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 49, p. 1, doi. 10.1002/chem.202400858

By:

Lledos, Marina;
Calatayud, David G.;
Cortezon‐Tamarit, Fernando;
Ge, Haobo;
Pourzand, Charareh;
Botchway, Stanley W.;
Sodupe, Mariona;
Lledós, Agustí;
Eggleston, Ian M.;
Pascu, Sofia I.

Publication type:

Article

Rationalization of a Streptavidin Based Enantioselective Artificial Suzukiase: An Integrative Computational Approach.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 39, p. 1, doi. 10.1002/chem.202401165

By:

Tiessler‐Sala, Laura;
Maréchal, Jean‐Didier;
Lledós, Agustí

Publication type:

Article

Carboranylphosphines: B9‐Substituted Derivatives with Enhanced Reactivity for Anchoring to Dendrimers.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 13, p. 1, doi. 10.1002/chem.202303867

By:

Milewski, Max;
Caminade, Anne‐Marie;
Mallet‐Ladeira, Sonia;
Lledós, Agustí;
Lönnecke, Peter;
Hey‐Hawkins, Evamarie

Publication type:

Article

Carboranylphosphines: B9‐Substituted Derivatives with Enhanced Reactivity for Anchoring to Dendrimers.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 13, p. 1, doi. 10.1002/chem.202303867

By:

Milewski, Max;
Caminade, Anne‐Marie;
Mallet‐Ladeira, Sonia;
Lledós, Agustí;
Lönnecke, Peter;
Hey‐Hawkins, Evamarie

Publication type:

Article

Front Cover: Carboranylphosphines: B9‐Substituted Derivatives with Enhanced Reactivity for the Anchoring to Dendrimers (Chem. Eur. J. 13/2024).

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 13, p. 1, doi. 10.1002/chem.202400455

By:

Milewski, Max;
Caminade, Anne‐Marie;
Mallet‐Ladeira, Sonia;
Lledós, Agustí;
Lönnecke, Peter;
Hey‐Hawkins, Evamarie

Publication type:

Article

Carboranylphosphines: B9‐Substituted Derivatives with Enhanced Reactivity for the Anchoring to Dendrimers.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 13, p. 1, doi. 10.1002/chem.202303867

By:

Milewski, Max;
Caminade, Anne‐Marie;
Mallet‐Ladeira, Sonia;
Lledós, Agustí;
Lönnecke, Peter;
Hey‐Hawkins, Evamarie

Publication type:

Article

Catalytic Regioselective Isomerization of 2,2‐Disubstituted Oxetanes to Homoallylic Alcohols.

Published in:

Angewandte Chemie, 2020, v. 132, n. 19, p. 7591, doi. 10.1002/ange.201915772

By:

Cabré, Albert;
Rafael, Sergi;
Sciortino, Giuseppe;
Ujaque, Gregori;
Verdaguer, Xavier;
Lledós, Agustí;
Riera, Antoni

Publication type:

Article

Activating a Peroxo Ligand for C−O Bond Formation.

Published in:

Angewandte Chemie, 2019, v. 131, n. 10, p. 3069, doi. 10.1002/ange.201808840

By:

del Río, M. Pilar;
Abril, Paula;
López, José A.;
Sodupe, Mariona;
Lledós, Agustí;
Ciriano, Miguel A.;
Tejel, Cristina

Publication type:

Article

Analysis of solvent effect on SN2 reactions by different theoretical models.

Published in:

Journal of Physical Organic Chemistry, 1989, v. 2, n. 8, p. 611, doi. 10.1002/poc.610020804

By:

Alemán, Carles;
Maseras, Feliu;
Lledós, Agustí;
Duran, Miquel;
Bertrán, Juan

Publication type:

Article

New Insights into the Reactivity of Cisplatin with Free and Restrained Nucleophiles: Microsolvation Effects and Base Selectivity in Cisplatin-DNA Interactions.

Published in:

ChemPhysChem, 2016, v. 17, n. 23, p. 3932, doi. 10.1002/cphc.201600982

By:

de Cózar, Abel;
Larrañaga, Olatz;
Bickelhaupt, F. Matthias;
San Sebastián, Eider;
Ortega‐Carrasco, Elisabeth;
Maréchal, Jean‐Didier;
Lledós, Agustí;
Cossío, Fernando P.

Publication type:

Article

Do Metal⋅⋅⋅Water Hydrogen Bonds Hold in Solution? Insight from Ab Initio Molecular Dynamics Simulations.

Published in:

ChemPhysChem, 2011, v. 12, n. 9, p. 1666, doi. 10.1002/cphc.201100234

By:

Vidossich, Pietro;
Ortuño, Manuel Á.;
Ujaque, Gregori;
Lledós, Agustí

Publication type:

Article

Regioselective Ring‐Opening of Oxetanes Catalyzed by Lewis Superacid Al(C6F5)3.

Published in:

Advanced Synthesis & Catalysis, 2024, v. 366, n. 4, p. 925, doi. 10.1002/adsc.202301183

By:

Bellido, Marina;
Riego‐Mejías, Carlos;
Sciortino, Giuseppe;
Verdaguer, Xavier;
Lledós, Agustí;
Riera, Antoni

Publication type:

Article

Mild Iridium‐Catalysed Isomerization of Epoxides. Computational Insights and Application to the Synthesis of β‐Alkyl Amines.

Published in:

Advanced Synthesis & Catalysis, 2019, v. 361, n. 15, p. 3624, doi. 10.1002/adsc.201900372

By:

Cabré, Albert;
Cabezas‐Giménez, Juanjo;
Sciortino, Giuseppe;
Ujaque, Gregori;
Verdaguer, Xavier;
Lledós, Agustí;
Riera, Antoni

Publication type:

Article

Beyond Continuum Solvent Models in Computational Homogeneous Catalysis.

Published in:

Topics in Catalysis, 2022, v. 65, n. 1-4, p. 118, doi. 10.1007/s11244-021-01520-2

By:

Norjmaa, Gantulga;
Ujaque, Gregori;
Lledós, Agustí

Publication type:

Article

Tuning N-Heterocyclic Carbenes in T-Shaped PtII Complexes for Intermolecular CH Bond Activation of Arenes.

Published in:

Angewandte Chemie International Edition, 2012, v. 51, n. 16, p. 3936, doi. 10.1002/anie.201200070

By:

Rivada-Wheelaghan, Orestes;
Ortuño, Manuel A.;
Díez, Josefina;
Lledós, Agustí;
Conejero, Salvador

Publication type:

Article

Hydroamination of Alkynes with Ammonia: Unforeseen Role of the Gold(I) Catalyst.

Published in:

Angewandte Chemie International Edition, 2011, v. 50, n. 47, p. 11147, doi. 10.1002/anie.201105309

By:

Kovács, Gábor;
Lledós, Agustí;
Ujaque, Gregori

Publication type:

Article

Acid-Base Interaction between Transition-Metal Hydrides: Dihydrogen Bonding and Dihydrogen Evolution.

Published in:

Angewandte Chemie International Edition, 2011, v. 50, n. 6, p. 1367, doi. 10.1002/anie.201005274

By:

Levina, Vladislava A.;
Rossin, Andrea;
Belkova, Natalia V.;
Chierotti, Michele R.;
Epstein, Lina M.;
Filippov, Oleg A.;
Gobetto, Roberto;
Gonsalvi, Luca;
Lledós, Agustí;
Shubina, Elena S.;
Zanobini, Fabrizio;
Peruzzini, Maurizio

Publication type:

Article

Analysis of the gas-phase addition of water to formaldehyde: A semiempirical and ab initio study of bifunctional catalysis by H2O.

Published in:

Journal of Computational Chemistry, 1992, v. 13, n. 9, p. 1037, doi. 10.1002/jcc.540130902

By:

Ventura, Oscar N.;
CoitiñO, Elena L.;
Lledós, Agustí;
Bertran, Juan

Publication type:

Article

Vibrational Stark effect: Theoretical determination through the semiempirical AM1 method.

Published in:

Journal of Computational Chemistry, 1992, v. 13, n. 7, p. 821, doi. 10.1002/jcc.540130705

By:

Martí, Josep;
Lledós, Agustí;
Bertrán, Juan;
Duran, Miquel

Publication type:

Article

Ab initio study of substituent effect on the addition of hydrogen fluoride to fluoroethylenes.

Published in:

Journal of Computational Chemistry, 1990, v. 11, n. 2, p. 170, doi. 10.1002/jcc.540110203

By:

Solà, Miquel;
Lledós, Agustí;
Duran, Miquel;
Bertrán, Juan;
Ventura, Oscar N.

Publication type:

Article

Theoretical study of the addition of hydrogen halides to olefins: A comparison between (HCl)2 and (HF)2 additions to ethylene.

Published in:

Journal of Computational Chemistry, 1987, v. 8, n. 4, p. 481, doi. 10.1002/jcc.540080428

By:

Clavero, Carmen;
Duran, Miquel;
Lledós, Agustí;
Ventura, Oscar N.;
Bertrán, Juan

Publication type:

Article

Edge-Sharing Binuclear d8 Complexes with XR Bridges: Theoretical and Structural Database Study of their Molecular Conformation.

Published in:

Chemistry - A European Journal, 1999, v. 5, n. 5, p. 1391, doi. 10.1002/(SICI)1521-3765(19990503)5:5<1391::AID-CHEM1391>3.0.CO;2-C

By:

Aullón, Gabriel;
Ujaque, Gregori;
Lledós, Agustí;
Alvarez, Santiago

Publication type:

Article

Theoretical Study of the Effect of Lewis Acids on Dihydrogen Elimination from Niobocene Trihydrides.

Published in:

Chemistry - A European Journal, 1999, v. 5, n. 4, p. 1166, doi. 10.1002/(SICI)1521-3765(19990401)5:4<1166::AID-CHEM1166>3.0.CO;2-4

By:

Camanyes, Santiago;
Maseras, Feliu;
Moreno, Miquel;
Lledós, Agustí;
Lluch, José M.;
Bertrán, Juan

Publication type:

Article

Dynamic Behavior in Solution of the Trans-Hydridodihydrogen Complex [OsHCl( n2-H2)(CO)(P iPr3)2]: Ab Initio and NMR Studies.

Published in:

Chemistry - A European Journal, 1996, v. 2, n. 7, p. 815, doi. 10.1002/chem.19960020714

By:

Bakhmutov, Vladimir I.;
Bertrán, Juan;
Esteruelas, Miguel A.;
Lledós, Agustí;
Maseras, Feliu;
Modrego, Javier;
Oro, Luis A.;
Sola, Eduardo

Publication type:

Article

Cyclometallated Imides as Templates for the H‐Bond Directed Iridium‐Catalyzed Asymmetric Hydrogenation of N‐Methyl, N‐Alkyl and N‐Aryl Imines.

Published in:

Angewandte Chemie International Edition, 2024, v. 63, n. 26, p. 1, doi. 10.1002/anie.202404955

By:

Wen, Yisong;
Fernández‐Sabaté, Marc;
Lledós, Agustí;
Sciortino, Giuseppe;
Eills, James;
Marco‐Rius, Irene;
Riera, Antoni;
Verdaguer, Xavier

Publication type:

Article

Catalytic Regioselective Isomerization of 2,2‐Disubstituted Oxetanes to Homoallylic Alcohols.

Published in:

Angewandte Chemie International Edition, 2020, v. 59, n. 19, p. 7521, doi. 10.1002/anie.201915772

By:

Cabré, Albert;
Rafael, Sergi;
Sciortino, Giuseppe;
Ujaque, Gregori;
Verdaguer, Xavier;
Lledós, Agustí;
Riera, Antoni

Publication type:

Article

Activating a Peroxo Ligand for C−O Bond Formation.

Published in:

Angewandte Chemie International Edition, 2019, v. 58, n. 10, p. 3037, doi. 10.1002/anie.201808840

By:

del Río, M. Pilar;
Abril, Paula;
López, José A.;
Sodupe, Mariona;
Lledós, Agustí;
Ciriano, Miguel A.;
Tejel, Cristina

Publication type:

Article

Cyclometallated Imides as Templates for the H‐Bond Directed Iridium‐Catalyzed Asymmetric Hydrogenation of N‐Methyl, N‐Alkyl and N‐Aryl Imines.

Published in:

Angewandte Chemie, 2024, v. 136, n. 26, p. 1, doi. 10.1002/ange.202404955

By:

Wen, Yisong;
Fernández‐Sabaté, Marc;
Lledós, Agustí;
Sciortino, Giuseppe;
Eills, James;
Marco‐Rius, Irene;
Riera, Antoni;
Verdaguer, Xavier

Publication type:

Article

A DFT study on the relative affinity for oxygen of the α and β subunits of hemoglobin.

Published in:

Journal of Computational Chemistry, 2006, v. 27, n. 12, p. 1446, doi. 10.1002/jcc.20427

By:

Maréchal, Jean-Didier;
Maseras, Feliu;
Lledós, Agustí;
Mouawad, Liliane;
Perahia, David

Publication type:

Article

Theoretical modeling of the heme group with a hybrid QM/MM method.

Published in:

Journal of Computational Chemistry, 2000, v. 21, n. 4, p. 282, doi. 10.1002/(SICI)1096-987X(200003)21:4<282::AID-JCC4>3.0.CO;2-L

By:

Maréchal, Jean-Didier;
Barea, Guada;
Maseras, Feliu;
Lledós, Agustí;
Mouawad, Liliane;
Pérahia, David

Publication type:

Article

Cover Feature: Dynamic PdII/CuI Multimetallic Assemblies as Molecular Models to Study Metal–Metal Cooperation in Sonogashira Coupling (Chem. Eur. J. 53/2020).

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 53, p. 12082, doi. 10.1002/chem.202003331

By:

Rivada‐Wheelaghan, Orestes;
Comas‐Vives, Aleix;
Fayzullin, Robert R.;
Lledós, Agustí;
Khusnutdinova, Julia R.

Publication type:

Article

Dynamic PdII/CuI Multimetallic Assemblies as Molecular Models to Study Metal–Metal Cooperation in Sonogashira Coupling.

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 53, p. 12168, doi. 10.1002/chem.202002013

By:

Rivada‐Wheelaghan, Orestes;
Comas‐Vives, Aleix;
Fayzullin, Robert R.;
Lledós, Agustí;
Khusnutdinova, Julia R.

Publication type:

Article

Cover Feature: Inner‐Sphere Oxygen Activation Promoting Outer‐Sphere Nucleophilic Attack on Olefins (Chem. Eur. J. 64/2019).

Published in:

Chemistry - A European Journal, 2019, v. 25, n. 64, p. 14476, doi. 10.1002/chem.201904040

By:

Abril, Paula;
Río, M. Pilar;
López, José A.;
Lledós, Agustí;
Ciriano, Miguel A.;
Tejel, Cristina

Publication type:

Article

Inner‐Sphere Oxygen Activation Promoting Outer‐Sphere Nucleophilic Attack on Olefins.

Published in:

Chemistry - A European Journal, 2019, v. 25, n. 64, p. 14546, doi. 10.1002/chem.201903068

By:

Abril, Paula;
Río, M. Pilar;
López, José A.;
Lledós, Agustí;
Ciriano, Miguel A.;
Tejel, Cristina

Publication type:

Article

σ‐Silane Platinum(II) Complexes as Intermediates in C−Si Bond‐Coupling Processes.

Published in:

Chemistry - A European Journal, 2019, v. 25, n. 48, p. 11346, doi. 10.1002/chem.201902226

By:

Ríos, Pablo;
Fouilloux, Hugo;
Díez, Josefina;
Vidossich, Pietro;
Lledós, Agustí;
Conejero, Salvador

Publication type:

Article

Frontispiece: Selective Synthesis of Tetrasubstituted Olefins by Copper‐Mediated Acetoxythiolation of Internal Alkynes: Scope and Mechanistic Studies.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 50, p. 1, doi. 10.1002/chem.201885064

By:

Villuendas, Pedro;
Ruiz, Sara;
Vidossich, Pietro;
Lledós, Agustí;
Urriolabeitia, Esteban P.

Publication type:

Article

Selective Synthesis of Tetrasubstituted Olefins by Copper‐Mediated Acetoxythiolation of Internal Alkynes: Scope and Mechanistic Studies.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 50, p. 13124, doi. 10.1002/chem.201802546

By:

Villuendas, Pedro;
Ruiz, Sara;
Vidossich, Pietro;
Lledós, Agustí;
Urriolabeitia, Esteban P.

Publication type:

Article

Frontispiece: Rhodium Complexes Promoting C−O Bond Formation in Reactions with Oxygen: The Role of Superoxo Species.

Published in:

Chemistry - A European Journal, 2017, v. 23, n. 22, p. n/a, doi. 10.1002/chem.201782263

By:

Vilella ‐ Arribas, Laia;
García ‐ Melchor, Max;
Balcells, David;
Lledós, Agustí;
López, José A.;
Sancho, Sofía;
Villarroya, B. Eva;
del Río, M. Pilar;
Ciriano, Miguel A.;
Tejel, Cristina

Publication type:

Article

Rhodium Complexes Promoting C−O Bond Formation in Reactions with Oxygen: The Role of Superoxo Species.

Published in:

Chemistry - A European Journal, 2017, v. 23, n. 22, p. 5232, doi. 10.1002/chem.201605959

By:

Vilella ‐ Arribas, Laia;
García ‐ Melchor, Max;
Balcells, David;
Lledós, Agustí;
López, José A.;
Sancho, Sofía;
Villarroya, B. Eva;
del Río, M. Pilar;
Ciriano, Miguel A.;
Tejel, Cristina

Publication type:

Article

Incorporation of Manganese Complexes into Xylanase: New Artificial Metalloenzymes for Enantioselective Epoxidation.

Published in:

ChemBioChem, 2012, v. 13, n. 2, p. 240, doi. 10.1002/cbic.201100659

By:

Allard, Mathieu;
Dupont, Claude;
Muñoz Robles, Victor;
Doucet, Nicolas;
Lledós, Agustí;
Maréchal, Jean-Didier;
Urvoas, Agathe;
Mahy, Jean-Pierre;
Ricoux, Rémy

Publication type:

Article