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Results: 561

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
Keywords: Spin states

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

Eduard Matito, Jerzy Cioslowski, Sergei F. Vyboishchikov
Properties of harmonium atoms from FCI calculations: Calibration and benchmarks for the ground state of the two-electron species
Phys. Chem. Chem. Phys., 2010, 12, 6712-6716
DOI: 10.1039/b926389f

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