Works by Solà, Miquel

Results: 178

Thermal [2+2] Intramolecular Cycloadditions of Fuller-1,6-enynesThese investigations were financially supported by the MEC of Spain (Projects BQU2002-00855 and BQU2002-0412-C02-02). S.F. thanks the CAM for a postdoctoral contract. M.A. and M.G. thank the MEC for research grants.

Published in:

Angewandte Chemie, 2006, v. 118, n. 9, p. 1467

By:

Nazario Martín;
Margarita Altable;
Salvatore Filippone;
Angel Martín-Domenech;
Mireia Güell;
Miquel Solà

Publication type:

Article

Special Collection: Computational Chemistry.

Published in:

ChemistryOpen, 2019, v. 8, n. 7, p. 814, doi. 10.1002/open.201900197

By:

Solà, Miquel;
De Proft, Frank;
Bickelhaupt, F. Matthias

Publication type:

Article

Cover Feature: The Coulomb Hole of the Ne Atom (ChemistryOpen 4/2019).

Published in:

ChemistryOpen, 2019, v. 8, n. 4, p. 400, doi. 10.1002/open.201900072

By:

Rodríguez‐Mayorga, Mauricio;
Ramos‐Cordoba, Eloy;
Lopez, Xabier;
Solà, Miquel;
Ugalde, Jesus M.;
Matito, Eduard

Publication type:

Article

The Coulomb Hole of the Ne Atom.

Published in:

ChemistryOpen, 2019, v. 8, n. 4, p. 411, doi. 10.1002/open.201800235

By:

Rodríguez‐Mayorga, Mauricio;
Ramos‐Cordoba, Eloy;
Lopez, Xabier;
Solà, Miquel;
Ugalde, Jesus M.;
Matito, Eduard

Publication type:

Article

Structural Preferences in Phosphanylthiolato Platinum(II) Complexes.

Published in:

ChemistryOpen, 2016, v. 5, n. 1, p. 51, doi. 10.1002/open.201500136

By:

Duran, Josep;
Polo, Alfonso;
Real, Julio;
Benet‐Buchholz, Jordi;
Solà, Miquel;
Poater, Albert

Publication type:

Article

Cover Picture: Structural Preferences in Phosphanylthiolato Platinum(II) Complexes (ChemistryOpen 1/2016).

Published in:

ChemistryOpen, 2016, v. 5, n. 1, p. 1, doi. 10.1002/open.201600004

By:

Duran, Josep;
Polo, Alfonso;
Real, Julio;
Benet‐Buchholz, Jordi;
Solà, Miquel;
Poater, Albert

Publication type:

Article

Structural Preferences in Phosphanylthiolato Platinum(II) Complexes.

Published in:

ChemistryOpen, 2016, v. 5, n. 1, p. 2, doi. 10.1002/open.201600005

By:

Duran, Josep;
Polo, Alfonso;
Real, Julio;
Benet‐Buchholz, Jordi;
Solà, Miquel;
Poater, Albert

Publication type:

Article

On the Reaction Mechanism of the Rhodium-Catalyzed Arylation of Fullerene (C60) with Organoboron Compounds in the Presence of Water.

Published in:

ChemistryOpen, 2015, v. 4, n. 6, p. 774, doi. 10.1002/open.201500093

By:

Martínez, Juan Pablo;
Solà, Miquel;
Poater, Albert

Publication type:

Article

Couple-close construction of non-classical boron cluster-phosphonium conjugates.

Published in:

Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-51506-3

By:

Sun, Zhaofeng;
Zong, Jibo;
Ren, Hongyuan;
Lu, Changsheng;
Tu, Deshuang;
Poater, Jordi;
Solà, Miquel;
Shi, Zhuangzhi;
Yan, Hong

Publication type:

Article

Chemical bonding and aromaticity in metalloporphyrins1,2.

Published in:

Canadian Journal of Chemistry, 2009, v. 87, n. 7, p. 1063, doi. 10.1139/V09-037

By:

Feixas, Ferran;
Solà, Miquel;
Swart, Marcel

Publication type:

Article

Stabilization of Diborynes versus Destabilization of Diborenes by Coordination of Lewis Bases: Unravelling the Dichotomy.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 8, p. 1, doi. 10.1002/chem.202303185

By:

de Azevedo Santos, Lucas;
Trujillo‐González, Daniel E.;
Jiménez‐Halla, J. Oscar C.;
Bickelhaupt, F. Matthias;
Solà, Miquel

Publication type:

Article

Aromaticity and Magnetic Behavior in Benzenoids: Unraveling Ring Current Combinations.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 1, p. 1, doi. 10.1002/chem.202302415

By:

Leyva‐Parra, Luis;
Pino‐Rios, Ricardo;
Inostroza, Diego;
Solà, Miquel;
Alonso, Mercedes;
Tiznado, William

Publication type:

Article

Pioneering the Power of Twin Bonds in a Revolutionary Double Bond Formation. Unveiling the True Identity of o‐Carboryne as o‐Carborene.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 69, p. 1, doi. 10.1002/chem.202302448

By:

Poater, Jordi;
Viñas, Clara;
Escayola, Sílvia;
Solà, Miquel;
Teixidor, Francesc

Publication type:

Article

Redox Activity of IrIII Complexes with Multidentate Ligands Based on Dipyrido‐Annulated N‐Heterocyclic Carbenes: Access to High Valent and High Spin State with Carbon Donors.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 63, p. 1, doi. 10.1002/chem.202302303

By:

Nakanishi, Kazuki;
Lugo‐Fuentes, Leonardo I.;
Manabe, Jun;
Guo, Ronghao;
Kikkawa, Soichi;
Yamazoe, Seiji;
Komaguchi, Kenji;
Kume, Shoko;
Szczepanik, Dariusz W.;
Solà, Miquel;
Jimenez‐Halla, J. Oscar C.;
Nishihara, Sadafumi;
Kubo, Kazuyuki;
Nakamoto, Masaaki;
Yamamoto, Yohsuke;
Mizuta, Tsutomu;
Shang, Rong

Publication type:

Article

Excited State Processes in Supramolecular Complexes of Cyclic Dibenzopyrrolopyrrole Isomers with C60 Fullerene.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 35, p. 1, doi. 10.1002/chem.202300503

By:

George, Gibu;
Stasyuk, Olga. A.;
Voityuk, Alexander A.;
Stasyuk, Anton J.;
Solà, Miquel

Publication type:

Article

A Non Expected Alternative Ni(0) Species in the Ni‐Catalytic Aldehyde and Alcohol Arylation Reactions Facilitated by a 1,5‐Diaza‐3,7‐diphosphacyclooctane Ligand.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 28, p. 1, doi. 10.1002/chem.202300193

By:

Heitkämper, Juliane;
Posada‐Pérez, Sergio;
Escayola, Sílvia;
Solà, Miquel;
Kästner, Johannes;
Poater, Albert

Publication type:

Article

Predictive Catalysis in Olefin Metathesis with Ru‐based Catalysts with Annulated C60 Fullerenes in the N‐heterocyclic Carbenes.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 72, p. 18074, doi. 10.1002/chem.202100840

By:

Pablo Martínez, Juan;
Solà, Miquel;
Poater, Albert

Publication type:

Article

[10]CPP‐Based Inclusion Complexes of Charged Fulleropyrrolidines. Effect of the Charge Location on the Photoinduced Electron Transfer.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 34, p. 8737, doi. 10.1002/chem.202005516

By:

Stasyuk, Olga A.;
Stasyuk, Anton J.;
Solà, Miquel;
Voityuk, Alexander A.

Publication type:

Article

Aromaticity and Extrusion of Benzenoids Linked to [o‐COSAN]−: Clar Has the Answer.

Published in:

Angewandte Chemie, 2022, v. 134, n. 22, p. 1, doi. 10.1002/ange.202200672

By:

Poater, Jordi;
Viñas, Clara;
Olid, David;
Solà, Miquel;
Teixidor, Francesc

Publication type:

Article

Initiating Electron Transfer in Doubly Curved Nanographene Upon Supramolecular Complexation of C60.

Published in:

Angewandte Chemie, 2022, v. 134, n. 7, p. 1, doi. 10.1002/ange.202112834

By:

Zank, Simon;
Fernández‐García, Jesús M.;
Stasyuk, Anton J.;
Voityuk, Alexander A.;
Krug, Marcel;
Solà, Miquel;
Guldi, Dirk M.;
Martín, Nazario

Publication type:

Article

Guidelines for Tuning the Excited State Hückel–Baird Hybrid Aromatic Character of Pro‐Aromatic Quinoidal Compounds.

Published in:

Angewandte Chemie, 2021, v. 133, n. 18, p. 10343, doi. 10.1002/ange.202100261

By:

Escayola, Sílvia;
Tonnelé, Claire;
Matito, Eduard;
Poater, Albert;
Ottosson, Henrik;
Solà, Miquel;
Casanova, David

Publication type:

Article

Iodane‐Guided ortho C−H Allylation.

Published in:

Angewandte Chemie, 2020, v. 132, n. 45, p. 20376, doi. 10.1002/ange.202009369

By:

Chen, Wei W.;
Cunillera, Anton;
Chen, Dandan;
Lethu, Sébastien;
López de Moragas, Albert;
Zhu, Jun;
Solà, Miquel;
Cuenca, Ana B.;
Shafir, Alexandr

Publication type:

Article

The nido‐Cage⋅⋅⋅π Bond: A Non‐covalent Interaction between Boron Clusters and Aromatic Rings and Its Applications.

Published in:

Angewandte Chemie, 2020, v. 132, n. 23, p. 9103, doi. 10.1002/ange.201915290

By:

Tu, Deshuang;
Yan, Hong;
Poater, Jordi;
Solà, Miquel

Publication type:

Article

Innenrücktitelbild: All‐Fullerene Electron Donor–Acceptor Conjugates (Angew. Chem. 21/2019).

Published in:

Angewandte Chemie, 2019, v. 131, n. 21, p. 7217, doi. 10.1002/ange.201904693

By:

Izquierdo, Marta;
Platzer, Benedikt;
Stasyuk, Anton J.;
Stasyuk, Olga A.;
Voityuk, Alexander A.;
Cuesta, Sergio;
Solà, Miquel;
Guldi, Dirk M.;
Martín, Nazario

Publication type:

Article

All‐Fullerene Electron Donor–Acceptor Conjugates.

Published in:

Angewandte Chemie, 2019, v. 131, n. 21, p. 7006, doi. 10.1002/ange.201901863

By:

Izquierdo, Marta;
Platzer, Benedikt;
Stasyuk, Anton J.;
Stasyuk, Olga A.;
Voityuk, Alexander A.;
Cuesta, Sergio;
Solà, Miquel;
Guldi, Dirk M.;
Martín, Nazario

Publication type:

Article

Carbon Dioxide Conversion on Supported Metal Nanoparticles: A Brief Review.

Published in:

Catalysts (2073-4344), 2023, v. 13, n. 2, p. 305, doi. 10.3390/catal13020305

By:

Posada-Pérez, Sergio;
Solà, Miquel;
Poater, Albert

Publication type:

Article

Aromaticity of nucleic acid bases.

Published in:

WIREs: Computational Molecular Science, 2021, v. 11, n. 4, p. 1, doi. 10.1002/wcms.1509

By:

Szatylowicz, Halina;
Stasyuk, Olga A.;
Solà, Miquel;
Krygowski, Tadeusz M.

Publication type:

Article

Connecting and combining rules of aromaticity. Towards a unified theory of aromaticity.

Published in:

WIREs: Computational Molecular Science, 2019, v. 9, n. 4, p. N.PAG, doi. 10.1002/wcms.1404

By:

Solà, Miquel

Publication type:

Article

Metalloaromaticity.

Published in:

WIREs: Computational Molecular Science, 2013, v. 3, n. 2, p. 105, doi. 10.1002/wcms.1115

By:

Feixas, Ferran;
Matito, Eduard;
Poater, Jordi;
Solà, Miquel

Publication type:

Article

Hydrogen bonding and aromaticity in the guanine-cytosine base pair interacting with metal cations (M = Cu + , Ca 2+ and Cu 2+ ).

Published in:

Molecular Physics, 2005, v. 103, n. 2/3, p. 163, doi. 10.1080/00268920512331316238

By:

Poater, Jordi;
Sodupe, Mariona;
Bertran, Joan;
Solà, Miquel

Publication type:

Article

A Critical Assessment of the Performance of Magnetic and Electronic Indices of Aromaticity.

Published in:

Symmetry (20738994), 2010, v. 2, n. 2, p. 1156, doi. 10.3390/sym2021156

By:

Solà, Miquel;
Feixas, Ferran;
Jimìnez-Halla, J. Oscar C.;
Matito, Eduard;
Poater, Jordi

Publication type:

Article

Homolytic versus Heterolytic Dissociation of Alkalimetal Halides: The Effect of Microsolvation.

Published in:

ChemPhysChem, 2009, v. 10, n. 17, p. 2955, doi. 10.1002/cphc.200900480

By:

Osuna, Sílvia;
Swart, Marcel;
Baerends, Evert Jan;
Bickelhaupt, F. Matthias;
Solà, Miquel

Publication type:

Article

Electron Fluctuation in Pericyclic and Pseudopericyclic Reactions.

Published in:

ChemPhysChem, 2006, v. 7, n. 1, p. 111, doi. 10.1002/cphc.200500446

By:

Eduard Matito;
Jordi Poater;
Miquel Duran;
Miquel Solà

Publication type:

Article

Aromaticity Analysis of Lithium Cation/ π Complexes of Aromatic Systems.

Published in:

ChemPhysChem, 2005, v. 6, n. 12, p. 2552, doi. 10.1002/cphc.200500216

By:

Mireia Güell;
Jordi Poater;
Josep M. Luis;
Otilia Mó;
Manuel Yáñez;
Miquel Solà

Publication type:

Article

On the Functionalization of C60 with Vinylallenes Generated in situ by Rhodium Catalysis.

Published in:

Advanced Synthesis & Catalysis, 2025, v. 367, n. 4, p. 1, doi. 10.1002/adsc.202401163

By:

Castanyer, Cristina;
Artigas, Albert;
Solà, Miquel;
Pla‐Quintana, Anna;
Roglans, Anna

Publication type:

Article

Rh‐Catalyzed Cycloaddition of C60 with Enynes: Unveiling the Mechanistic Pathway.

Published in:

Advanced Synthesis & Catalysis, 2024, v. 366, n. 4, p. 862, doi. 10.1002/adsc.202301189

By:

Castanyer, Cristina;
Artigas, Albert;
Insa‐Carreras, Nil;
Solà, Miquel;
Pla‐Quintana, Anna;
Roglans, Anna

Publication type:

Article

A Rh(I)‐Catalyzed Cascade Cyclization of 1,5‐Bisallenes and Alkynes for the Formation of cis‐3,4‐Arylvinyl Pyrrolidines and Cyclopentanes.

Published in:

Advanced Synthesis & Catalysis, 2022, v. 364, n. 1, p. 206, doi. 10.1002/adsc.202100934

By:

Vila, Jordi;
Vinardell, Roger;
Solà, Miquel;
Pla‐Quintana, Anna;
Roglans, Anna

Publication type:

Article

Synthesis of Fused Dihydroazepine Derivatives of Fullerenes by a Rh‐Catalyzed Cascade Process.

Published in:

Advanced Synthesis & Catalysis, 2021, v. 363, n. 15, p. 3835, doi. 10.1002/adsc.202100644

By:

Artigas, Albert;
Castanyer, Cristina;
Roig, Nil;
Lledó, Agustí;
Solà, Miquel;
Pla‐Quintana, Anna;
Roglans, Anna

Publication type:

Article

Bonding description of the Harpoon mechanism.

Published in:

Molecular Physics, 2016, v. 114, n. 7/8, p. 1345, doi. 10.1080/00268976.2015.1121297

By:

Rodríguez-Mayorga, Mauricio;
Ramos-Cordoba, Eloy;
Salvador, Pedro;
Solà, Miquel;
Matito, Eduard

Publication type:

Article

Nuclear magnetic resonance shieldings of water clusters: is it possible to reach the complete basis set limit by extrapolation?

Published in:

Molecular Physics, 2013, v. 111, n. 9-11, p. 1332, doi. 10.1080/00268976.2013.793832

By:

Armangué, Lluís;
Solà, Miquel;
Swart, Marcel

Publication type:

Article

N-Tetradentate SPANamine Derivatives and Their MnII-Complexes as Catalysts for Epoxidation of Alkenes.

Published in:

European Journal of Inorganic Chemistry, 2013, v. 2013, n. 7, p. 1213, doi. 10.1002/ejic.201201154

By:

Rich, Jordi;
Rodríguez, Montserrat;
Romero, Isabel;
Fontrodona, Xavier;
van Leeuwen, Piet W. N. M.;
Freixa, Zoraida;
Sala, Xavier;
Poater, Albert;
Solà, Miquel

Publication type:

Article

Theoretical investigation of the relative stabilities of XSS X and X2SS isomers ( X = F, Cl, H, and CH3).

Published in:

Journal of Computational Chemistry, 1995, v. 16, n. 4, p. 465, doi. 10.1002/jcc.540160410

By:

Bickelhaupt, F. Matthias;
Solà, Miquel;
von Ragué Schleyer, Paul

Publication type:

Article

On the calculation of ab initio quantum molecular similarities for large systems: Fitting the electron density.

Published in:

Journal of Computational Chemistry, 1994, v. 15, n. 10, p. 1113, doi. 10.1002/jcc.540151007

By:

Mestres, Jordi;
Solà, Miquel;
Duran, Miquel;
Carbó, Ramon

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

Quantum Mechanics/Molecular Mechanics Studies on the Relative Reactivities of Compound I and II in Cytochrome P450 Enzymes.

Published in:

International Journal of Molecular Sciences, 2018, v. 19, n. 7, p. 1974, doi. 10.3390/ijms19071974

By:

Luis, Josep M.;
Solà, Miquel;
Postils, Verònica;
Saint-André, Maud;
Timmins, Amy;
de Visser, Sam P.;
Li, Xiao-Xi;
Wang, Yong

Publication type:

Article

Green Energy by Hydrogen Production from Water Splitting, Water Oxidation Catalysis and Acceptorless Dehydrogenative Coupling.

Published in:

Inorganics, 2023, v. 11, n. 2, p. 88, doi. 10.3390/inorganics11020088

By:

Luque-Urrutia, Jesús Antonio;
Ortiz-García, Thalía;
Solà, Miquel;
Poater, Albert

Publication type:

Article

Aromaticity and Magnetic Properties of 1- and 2-Indenones and Their Aza Derivatives.

Published in:

European Journal of Organic Chemistry, 2014, v. 2014, n. 24, p. 5370, doi. 10.1002/ejoc.201402509

By:

Poater, Jordi;
Solà, Miquel;
Alkorta, Ibon;
Elguero, José

Publication type:

Article

Aromaticity and Extrusion of Benzenoids Linked to [o‐COSAN]−: Clar Has the Answer.

Published in:

Angewandte Chemie International Edition, 2022, v. 61, n. 22, p. 1, doi. 10.1002/anie.202200672

By:

Poater, Jordi;
Viñas, Clara;
Olid, David;
Solà, Miquel;
Teixidor, Francesc

Publication type:

Article

Initiating Electron Transfer in Doubly Curved Nanographene Upon Supramolecular Complexation of C60.

Published in:

Angewandte Chemie International Edition, 2022, v. 61, n. 7, p. 1, doi. 10.1002/anie.202112834

By:

Zank, Simon;
Fernández‐García, Jesús M.;
Stasyuk, Anton J.;
Voityuk, Alexander A.;
Krug, Marcel;
Solà, Miquel;
Guldi, Dirk M.;
Martín, Nazario

Publication type:

Article

Guidelines for Tuning the Excited State Hückel–Baird Hybrid Aromatic Character of Pro‐Aromatic Quinoidal Compounds.

Published in:

Angewandte Chemie International Edition, 2021, v. 60, n. 18, p. 10255, doi. 10.1002/anie.202100261

By:

Escayola, Sílvia;
Tonnelé, Claire;
Matito, Eduard;
Poater, Albert;
Ottosson, Henrik;
Solà, Miquel;
Casanova, David

Publication type:

Article