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Results: 476

Daniel Cassú, Teodor Parella, Miquel Solà, Anna Pla-Quintana, Anna Roglans
Rhodium-catalysed [2+2+2] cycloaddition reactions of linear allene-ene-ynes to afford fused tricyclic scaffolds. Insights into the mechanism
Chem. Eur. J., 2017, 23, 14889-14899
DOI: 10.1002/chem.201703194

Albert Artigas, Agustí Lledó, Anna Pla-Quintana, Anna Roglans, Miquel Solà
A Computational Study of the Intermolecular [2+2+2] Cycloaddition of Acetylene and C60 Catalyzed by Wilkinson’s Catalyst
Chem. Eur. J., 2017, 23, 5067–15072
DOI: 10.1002/chem.201702494
Keywords: Catalysis, Computational chemistry, Density Functional Theory, Fullerenes, Organometallics

Miquel Solà
Why Aromaticity Is a Suspicious Concept? Why?
Front. Chem., 2017, 5, 22
DOI: 10.3389/fchem.2017.00022

Marc Garcia-Borràs, Josep M. Luis, Miquel Solà, Sílvia Osuna
The key role of aromaticity in the structure and reactivity of C60 and endohedral metallofullerenes
Inorg. Chim. Acta, 2017, 468, 38-48
DOI: 10.1016/j.ica.2017.07.044
Keywords: Aromaticity, Chemical bonding, Computational chemistry, Cycloaddition, Endohedral fullerenes

Anand Kumar, Miquel Duran, Miquel Solà
Is coronene better described by Clar’s aromatic π-sextet model or by the AdNDP representation?
J. Comput. Chem., 2017, 38, 1606–1611
DOI: 10.1002/jcc.24801

Dariusz W. Szczepanik, Miquel Solà, Marcin Andrzejak, Barbara Pawełek, Justyna Dominikowska, Mercedes Kukułka, Karol Dyduch, Tadeusz M. Krygowski, Halina Szatyłowicz
The role of the long-range exchange corrections in the description of electron delocalization in aromatic species
J. Comput. Chem., 2017, 38, 1640-1654
DOI: 10.1002/jcc.24805

Rabia Ayub, Ouissam El Bakouri, Kjell Jorner, Miquel Solà, Henrik Ottosson
Can Baird’s and Clar’s Rules Combined Explain Triplet State Energies of Polycyclic Conjugated Hydrocarbons with Fused 4nπ- and (4n + 2)π-Rings?
J. Org. Chem., 2017, 82, 6327-6340
DOI: 10.1021/acs.joc.7b00906

Yago García-Rodeja, Miquel Solà, Israel Fernández
Predicting and Understanding the Reactivity of Aza[60]fullerenes
J. Org. Chem., 2017, 82, 754-758
DOI: 10.1021/acs.joc.6b02424

Alejandro Vásquez-Espinal, Jordi Poater, Miquel Solà, William Tiznado, Rafael Islas
Testing the effectiveness of the isoelectronic substitution principle through the transformation of aromatic osmathiophene derivatives into their inorganic analogues
New J. Chem., 2017, 41, 1168-1178
DOI: 10.1039/C6NJ02972H

Alfonso Polo, J. Duran, R. Juanola, J. Real, J. Benet-Buchholz, Miquel Solà, Albert Poater
Tuning diastereoisomerism in platinum(II) phosphino- and aminothiolato hydrido complexes
New J. Chem., 2017, 41, 3015-3028
DOI: 10.1039/C6NJ04042J


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