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Results: 1453

Laura Gómez, Anna Company, Xavier Fontrodona, Xavi Ribas, Miquel Costas
Self-assembling of nanoscopic molecular rectangles, extended helicates and porous-like materials based on macrocyclic dicopper building blocks under fine supramolecular control
Chem. Commun., 2007, 0, 4410-4412
DOI: 10.1039/b707508a

Marcin Palusiak, Sílvia Simon, Miquel Solà
The proton transfer reaction in malonaldehyde derivatives: Substituent effects and quasi-aromaticity of the proton bridge
Chemical Physics, 2007, 342, 43-54
DOI: 10.1016/j.chemphys.2007.09.016

Alexander A. Voityuk
Fluctuation of the electronic coupling in DNA: Multistate versus two-state model
Chemical Physics Letters, 2007, 439, 162-165
DOI: 10.1016/j.cplett.2007.03.066

Miquel Torrent-Sucarrat, Paul Geerlings, Josep M. Luis
Imaginary Vibrational Modes in Polycyclic Aromatic Hydrocarbons: A Challenging Test for the Hardness Profiles
ChemPhysChem, 2007, 8, 1065-1070
DOI: 10.1002/cphc.200700011
Keywords: Ab initio theory, Aromaticity, Computational chemistry, Density Functional Theory

Marc A. van Bochove, Marcel Swart, F. Matthias Bickelhaupt
Nucleophilic Substitution at Phosphorus Centers (SN2@P)
ChemPhysChem, 2007, 8, 2452-2463
DOI: 10.1002/cphc.200700488

Laura Gómez, Isaac Garcia-Bosch, Anna Company, Xavier Sala, Xavier Fontrodona, Xavi Ribas, Miquel Costas
Chiral manganese complexes with pinene appended tetradentate ligands as stereoselective epoxidation catalysts
Dalton Trans., 2007, 0, 5539-5545
DOI: 10.1039/b712754e

Marcel Swart, Ernst Rösler, F. Matthias Bickelhaupt
Proton Affinities in Water of Maingroup-Element Hydrides – Effects of Hydration and Methyl Substitution
Eur. J. Inorg. Chem., 2007, 2007, 3646-3654
DOI: 10.1002/ejic.200700228

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

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