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Results: 777

Judit Masllorens, Iván González, Anna Roglans
Recoverable Homogeneous Palladium(0) Catalyst for Cross-Coupling Reactions of Arenediazonium Salts with Potassium Organotrifluoroborates: Detection of Catalytic Intermediates by Electrospray Ionization Mass Spectrometry
Eur. J. Org. Chem., 2007, 2007, 158-166
DOI: 10.1002/ejoc.200600600
Keywords: Catalysis, Organometallics, Reaction mechanisms

Eduard Matito, Miquel Solà, Pedro Salvador, Miquel Duran
Electron sharing indexes at the correlated level. Application to aromaticity calculations
Faraday Discuss., 2007, 135, 325-345
DOI: 10.1039/b605086g

F. Matthias Bickelhaupt, Miquel Solà, Célia Fonseca Guerra
Highly polar bonds and the meaning of covalency and ionicity?structure and bonding of alkali metal hydride oligomers
Faraday Discuss., 2007, 135, 451-468
DOI: 10.1039/b606093e

Joaquim Mola, Isabel Romero, Montserrat Rodríguez, Fernando Bozoglian, Albert Poater, Miquel Solà, Teodor Parella, Jordi Benet-Buchholz, Xavier Fontrodona, Antoni Llobet
Mechanistic Insights into the Chemistry of Ru(II) Complexes Containing Cl and DMSO Ligands
Inorg. Chem., 2007, 46, 10707-10716
DOI: 10.1021/ic701421w

Anna Company, Laura Gómez, Rubén Mas-Ballesté, Ivan V. Korendovych, Xavi Ribas, Albert Poater, Teodor Parella, Xavier Fontrodona, Jordi Benet-Buchholz, Miquel Solà, Lawrence Que,, Elena V. Rybak-Akimova, Miquel Costas
Fast O2 Binding at Dicopper Complexes Containing Schiff-Base Dinucleating Ligands
Inorg. Chem., 2007, 46, 4997-5012
DOI: 10.1021/ic0701108

F. Matthias Bickelhaupt, Miquel Solà, Célia Fonseca Guerra
Table Salt and Other Alkali Metal Chloride Oligomers: Structure, Stability, and Bonding
Inorg. Chem., 2007, 46, 5411-5418
DOI: 10.1021/ic070328u

Anna Company, Laura Gómez, Mireia Güell, Xavi Ribas, Josep M. Luis, Lawrence Que,, Miquel Costas
Alkane Hydroxylation by a Nonheme Iron Catalyst that Challenges the Heme Paradigm for Oxygenase Action
J. Am. Chem. Soc., 2007, 129, 15766-15767
DOI: 10.1021/ja077761n

Albert Poater, Xavier Solans-Monfort, Eric Clot, Christophe Copéret, Odile Eisenstein
Understanding d0-Olefin Metathesis Catalysts:  Which Metal, Which Ligands?
J. Am. Chem. Soc., 2007, 129, 8207-8216
DOI: 10.1021/ja070625y

Adrià Gil, Sílvia Simon, Luis Rodríguez-Santiago, Juan Bertrán, Mariona Sodupe
Influence of the Side Chain in the Structure and Fragmentation of Amino Acids Radical Cations
J. Chem. Theory Comput., 2007, 3, 2210-2220
DOI: 10.1021/ct700055p
Keywords: Ab initio theory, Chemical bonding, Computational chemistry, Density Functional Theory

Marcel Swart, Miquel Solà, F. Matthias Bickelhaupt
Energy landscapes of nucleophilic substitution reactions: A comparison of density functional theory and coupled cluster methods
J. Comput. Chem., 2007, 28, 1551-1560
DOI: 10.1002/jcc.20653

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