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Results: 21

JuanPablo Martínez, Miquel Solà, Alexander A. Voityuk
Theoretical estimation of the rate of photoinduced charge transfer reactions in triphenylamine C60 donor-acceptor conjugate
J. Comput. Chem., 2016, 37, 1396-1405
DOI: 10.1002/jcc.24355

Alexander A. Voityuk, Miquel Solà
Photoinduced Charge Separation in the Carbon Nano-Onion C60 @C240
J. Phys. Chem. A, 2016, 120, 5798-5804
DOI: 10.1021/acs.jpca.6b04127

Juan Pablo Martínez, Fernando Langa, F. Matthias Bickelhaupt, Sílvia Osuna, Miquel Solà
(4 + 2) and (2 + 2) Cycloadditions of Benzyne to C60 and Zig-Zag Single-Walled Carbon Nanotubes: The Effect of the Curvature
J. Phys. Chem. C, 2016, 120, 1716-1726
DOI: 10.1021/acs.jpcc.5b11499

Mauricio Rodríguez-Mayorga, Eloy Ramos-Cordoba, Pedro Salvador, Miquel Solà, Eduard Matito
Bonding description of the Harpoon mechanism
Molecular Physics, 2016, 114, 1345-1355
DOI: 10.1080/00268976.2015.1121297

Gabriel Merino, Miquel Solà
Celebrating the 150th anniversary of the Kekulé benzene structure
Phys. Chem. Chem. Phys., 2016, 18, 11587-11588
DOI: 10.1039/c6cp90088g

Ouissam El Bakouri, Miquel Duran, Jordi Poater, Ferran Feixas, Miquel Solà
Octahedral aromaticity in2S+1 A1g X6 q clusters (X = Li–C and Be–Si, S = 0–3, and q = −2 to +4)
Phys. Chem. Chem. Phys., 2016, 18, 11700-11706
DOI: 10.1039/c5cp07011b

David Zanuy, Jordi Poater, Miquel Solà, Ian W. Hamley, Carlos Alemán
Fmoc–RGDS based fibrils: atomistic details of their hierarchical assembly
Phys. Chem. Chem. Phys., 2016, 18, 1265-1278
DOI: 10.1039/c5cp04269k

Ouissam El Bakouri, Miquel Solà, Jordi Poater
Planar vs. three-dimensional X6 2− , X2 Y4 2− , and X3 Y3 2− (X, Y = B, Al, Ga) metal clusters: an analysis of their relative energies through the tu
Phys. Chem. Chem. Phys., 2016, 18, 21102-21110
DOI: 10.1039/c6cp01109h

Daniel Cassú, Ouissam El Bakouri, Miquel Solà, Anna Pla-Quintana, Anna Roglans
New synthetic route to N-arylated pyridazinones from aryldiazonium salts
Revista de la Societat Catalana de Química, 2016, 15, 92-99
DOI: 10.2436/20.2003.01.80

Francesc Turias, Miquel Solà, Laura Falivene, Luigi Cavallo, Albert Poater
Nitrite to nitric oxide interconversion by heme FeII complex assisted by [CuI(tmpa)]+
Struct Chem, 2016, 27, 409-417
DOI: 10.1007/s11224-015-0670-0

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