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Results: 1422

J. M. Mercero, M. Rodríguez-Mayorga, Eduard Matito, X. Lopez, J. M. Ugalde
The electron-pair density distribution of the 1,3Πu excited states of H2
Can. J. Chem., 2016, 94, 998-1001
DOI: 10.1139/cjc-2016-0203
Keywords: Ab initio theory, Computational chemistry, Excited states, Method development

Giorgio Olivo, Olaf Cussó, Miquel Costas
Biologically Inspired C−H and C=C Oxidations with Hydrogen Peroxide Catalyzed by Iron Coordination Complexes
Chem-Asian J., 2016, 11, 3148-3158
DOI: 10.1002/asia.201601170

Carla Casadevall, Zoel Codolà, Miquel Costas, Julio Lloret-Fillol
Spectroscopic, Electrochemical and Computational Characterisation of Ru Species Involved in Catalytic Water Oxidation: Evidence for a [RuV (O)(Py2 Me tacn)] Intermediate
Chem-Eur J., 2016, 22, 10111-10126
DOI: 10.1002/chem.201600584

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

Adrián Gómez-Suárez, Yoshihiro Oonishi, Anthony R. Martin, Sai V. C. Vummaleti, David J. Nelson, David B. Cordes, Alexandra M. Z. Slawin, Luigi Cavallo, Steven P. Nolan, Albert Poater
On the Mechanism of the Digold(I)-Hydroxide-Catalysed Hydrophenoxylation of Alkynes
Chem-Eur J., 2016, 22, 1125-1132
DOI: 10.1002/chem.201503097

Yingzi Li, Sílvia Osuna, Marc Garcia-Borràs, Xiaotian Qi, Song Liu, Kendall N. Houk, Yu Lan
Reactivity of Single-Walled Carbon Nanotubes in the Diels–Alder Cycloaddition Reaction: Distortion–Interaction Analysis along the Reaction Pathway
Chem-Eur J., 2016, 22, 12819-12824
DOI: 10.1002/chem.201601799

Teresa Corona, Anna Company
Spectroscopically Characterized Synthetic Mononuclear Nickel-Oxygen Species
Chem-Eur J., 2016, 22, 13422–13429
DOI: 10.1002/chem.201602414

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

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