Results: 469
Kjell Jorner, Ferran Feixas, Rabia Ayub, Roland Lindh, Miquel Solà, Henrik Ottosson
Analysis of a Compound Class with Triplet States Stabilized by Potentially Baird Aromatic [10]Annulenyl Dicationic Rings
Chem-Eur J., 2016, 22, 2793-2800
DOI: 10.1002/chem.201504924
Juan Pablo Martínez, Marc Garcia-Borràs, Sílvia Osuna, Jordi Poater, F. Matthias Bickelhaupt, Miquel Solà
Reaction Mechanism and Regioselectivity of the Bingel-Hirsch Addition of Dimethyl Bromomalonate to La@C 2 -C82
Chem-Eur J., 2016, 22, 5953-5962
DOI: 10.1002/chem.201504668
JuanPablo Martínez, Sai Vikrama Chaitanya Vummaleti, Laura Falivene, Steven P. Nolan, Luigi Cavallo, Miquel Solà, Albert Poater
In Silico Olefin Metathesis with Ru-Based Catalysts Containing N-Heterocyclic Carbenes Bearing C60 Fullerenes
Chem-Eur J., 2016, 22, 6617-6623
DOI: 10.1002/chem.201600383
Jordi Poater, Miquel Solà, Clara Viñas, Francesc Teixidor
Hückel’s Rule of Aromaticity Categorizes Aromaticcloso Boron Hydride Clusters
Chem-Eur J., 2016, 22, 7437-7443
DOI: 10.1002/chem.201600510
Josep Duran, Alfonso Polo, Julio Real, Jordi Benet-Buchholz, Miquel Solà, Albert Poater
Structural Preferences in Phosphanylthiolato Platinum(II) Complexes
ChemistryOpen, 2016, 5, 51-59
DOI: 10.1002/open.201500136
Majid El-Hamdi, Miquel Solà, Jordi Poater, Alexey Y. Timoshkin
Complexes of adamantane-based group 13 Lewis acids and superacids: Bonding analysis and thermodynamics of hydrogen splitting
J. Comput. Chem., 2016, 37, 1355-1362
DOI: 10.1002/jcc.24328
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