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Results: 472

Yago García-Rodeja, Miquel Solà, Israel Fernández
Understanding the Reactivity of Planar Polycyclic Aromatic Hydrocarbons: Towards the Graphene Limit
Chem-Eur J., 2016, 22, 10572-10580
DOI: 10.1002/chem.201600900

Yago García-Rodeja, Miquel Solà, F. Matthias Bickelhaupt, Israel Fernández
Reactivity and Selectivity of Bowl-Shaped Polycyclic Aromatic Hydrocarbons: Relationship to C60
Chem-Eur J., 2016, 22, 1368-1378
DOI: 10.1002/chem.201502248

JuanPablo Martínez, Miquel Solà, Alexander A. Voityuk
The Driving Force of Photoinduced Charge Separation in Metal-Cluster-Encapsulated Triphenylamine-[80]fullerenes
Chem-Eur J., 2016, 22, 17305-17310
DOI: 10.1002/chem.201603504

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

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