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Results: 502

Albert Poater, Ana Gallegos Saliner, Miquel Solà, Luigi Cavallo, Andrew P. Worth
Computational methods to predict the reactivity of nanoparticles through structureproperty relationships
Expert Opin. Drug Deliv., 2010, 7, 295-305
DOI: 10.1517/17425240903508756

Xavi Ribas, Carlos Calle, Albert Poater, Alicia Casitas, Laura Gómez, Raül Xifra, Teodor Parella, Jordi Benet-Buchholz, Arthur Schweiger, George Mitrikas, Miquel Solà, Antoni Llobet, T. Daniel P. Stack
Facile CH Bond Cleavage via a Proton-Coupled Electron Transfer Involving a C−H···CuII Interaction
J. Am. Chem. Soc., 2010, 132, 12299-12306
DOI: 10.1021/ja101599e

Dmitry V. Gutsulyak, Sergei F. Vyboishchikov, Georgii I. Nikonov
Cationic Silane σ-Complexes of Ruthenium with Relevance to Catalysis
J. Am. Chem. Soc., 2010, 132, 5950-5951
DOI: 10.1021/ja101583m

Frank H. Wallrapp, Alexander A. Voityuk, Victor Guallar
Temperature Effects on Donor−Acceptor Couplings in Peptides. A Combined Quantum Mechanics and Molecular Dynamics Study
J. Chem. Theory Comput., 2010, 6, 3241-3248
DOI: 10.1021/ct100363e

Marcel Swart, Mireia Güell, Josep M. Luis, Miquel Solà
Spin-State-Corrected Gaussian-Type Orbital Basis Sets
J. Phys. Chem. A, 2010, 114, 7191-7197
DOI: 10.1021/jp102712z

Alexander A. Voityuk
Triplet Excitation Energy Transfer through Fluorene π Stack
J. Phys. Chem. C, 2010, 114, 20236-20239
DOI: 10.1021/jp108407s

Khatcharin Siriwong, Alexander A. Voityuk, Yuri A. Berlin
Can Charge Recombination in DNA Hairpins Be Controlled by Counterions?
J. Phys. Chem. C, 2010, 114, 20503-20509
DOI: 10.1021/jp104935h

Cristina Butchosa, Sílvia Simon, Alexander A. Voityuk
Electron transfer from aromatic amino acids to guanine and adenine radical cations in π stacked and T-shaped complexes
Org. Biomol. Chem., 2010, 8, 1870-1875
DOI: 10.1039/b927134a

Maria Besora, Sergei F. Vyboishchikov, Agustí Lledós, Feliu Maseras, Ernesto Carmona, Manuel L. Poveda
Mechanism for Hydride-Assisted Rearrangement from Ethylidene to Ethylene in Iridium Cationic Complexes
Organometallics, 2010, 29, 2040-2045
DOI: 10.1021/om1000315

Anna Dachs, Sílvia Osuna, Anna Roglans, Miquel Solà
Density Functional Study of the [2+2+2] Cyclotrimerization of Acetylene Catalyzed by Wilkinsons Catalyst, RhCl(PPh
Organometallics, 2010, 29, 562-569
DOI: 10.1021/om900836b

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