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Results: 846

Alexander A. Voityuk
Electron transfer between [4Fe–4S] clusters
Chemical Physics Letters, 2010, 495, 131-134
DOI: 10.1016/j.cplett.2010.06.057

George C. Fortman, Albert Poater, Jack W. Levell, Sylvain Gaillard, Alexandra M. Z. Slawin, Ifor D. W. Samuel, Luigi Cavallo, Steven P. Nolan
A versatile gold synthon for acetylene C–H bond activation
Dalton Trans., 2010, 39, 10382-10390
DOI: 10.1039/c0dt00276c

Alicia Casitas, Albert Poater, Miquel Solà, Shannon S. Stahl, Miquel Costas, Xavi Ribas
Molecular mechanism of acid-triggered arylhalide reductive elimination in well-defined arylCuIIIhalide species
Dalton Trans., 2010, 39, 10458-10463
DOI: 10.1039/c0dt00284d

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

Ferran Feixas, J. Oscar C. Jiménez-Halla, Eduard Matito, Jordi Poater, Miquel Solà
A Test to Evaluate the Performance of Aromaticity Descriptors in All-Metal and Semimetal Clusters. An Appraisal of Electronic and Magnetic Indicators of Aromaticity
J. Chem. Theory Comput., 2010, 6, 1118-1130
DOI: 10.1021/ct100034p

Rafael Islas, Gerardo Martínez-Guajardo, J. Oscar C. Jiménez-Halla, Miquel Solà, Gabriel Merino
Not All That Has a Negative NICS Is Aromatic: The Case of the H-Bonded Cyclic Trimer of HF
J. Chem. Theory Comput., 2010, 6, 1131-1135
DOI: 10.1021/ct100098c

A. Patrícia Bento, Miquel Solà, F. Matthias Bickelhaupt
E2 and S_N2 Reactions of X⁻ + CH₃CH₂X (X = F, Cl); an ab Initio and DFT Benchmark Study
J. Chem. Theory Comput., 2010, 6, 1445-1445
DOI: 10.1021/ct100103m

Ferran Feixas, Eduard Matito, Miquel Duran, Miquel Solà, Bernard Silvi
Electron Localization Function at the Correlated Level: A Natural Orbital Formulation
J. Chem. Theory Comput., 2010, 6, 2736-2742
DOI: 10.1021/ct1003548