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Results: 819

Ferran Feixas, J.O.C. Jiménez-Halla, Eduard Matito, Jordi Poater, Miquel Solà
Is the Aromaticity of the Benzene Ring in the (η-C6H6)Cr(CO)3 Complex Larger than that of the Isolated Benzene Molecule?
Pol. J. Chem., 2007, 81, 783-797
DOI: No link available

Mercedes Alonso, Jordi Poater, Miquel Solà
Aromaticity changes along the reaction coordinate connecting the cyclobutadiene dimer to cubane and the benzene dimer to hexaprismane
Struct Chem, 2007, 18, 773-783
DOI: 10.1007/s11224-007-9240-4

Josep M. Luis, Miquel Torrent-Sucarrat, Ove Christiansen, Bernard Kirtman
Variational calculation of static and dynamic vibrational nonlinear optical properties
The Journal of Chemical Physics, 2007, 127, 084118-
DOI: 10.1063/1.2770709
Keywords: Ab initio theory, Computational chemistry, Method development, Nonlinear optical properties

Adrià Gil, Sílvia Simon, Mariona Sodupe, Juan Bertran
Gas-phase proton-transport self-catalysed isomerisation of glutamine radical cation: The important role of the side-chain
Theor Chem Account, 2007, 118, 589-595
DOI: 10.1007/s00214-007-0342-2
Keywords: Ab initio theory, Chemical bonding, Computational chemistry, Reaction mechanisms

Nazario Martín, Margarita Altable, Salvatore Filippone, Angel Martín-Domenech, Mireia Güell, Miquel Solà
Thermal [2+2] Intramolecular Cycloadditions of Fuller-1,6-enynes
Angew. Chem. Int. Ed., 2006, 45, 1439-1442
DOI: 10.1002/anie.200502404

Xavi Ribas, Raül Xifra, Teodor Parella, Albert Poater, Miquel Solà, Antoni Llobet
Regiospecific CH Bond Activation: Reversible H/D Exchange Promoted by CuI Complexes with Triazamacrocyclic Ligands
Angew. Chem. Int. Ed., 2006, 45, 2941-2944
DOI: 10.1002/anie.200504222

Xavier Sala, Elena Plantalech, Isabel Romero, Montserrat Rodríguez, Antoni Llobet, Albert Poater, Miquel Duran, Miquel Solà, Susanna Jansat, Montserrat Gómez, Teodor Parella, Helen Stoeckli-Evans, Jordi Benet-Buchholz
Atropisomeric Discrimination in New RuII Complexes Containing theC2-Symmetric Didentate Chiral Phenyl-1,2-bisoxazolinic Ligand
Chem-Eur J., 2006, 12, 2798-2807
DOI: 10.1002/chem.200500796

Jordi Poater, Miquel Solà, F. Matthias Bickelhaupt
HydrogenHydrogen Bonding in Planar Biphenyl, Predicted by Atoms-In-Molecules Theory, Does Not Exist
Chem-Eur J., 2006, 12, 2889-2895
DOI: 10.1002/chem.200500850

Jordi Poater, Miquel Solà, F. Matthias Bickelhaupt
A Model of the Chemical Bond Must Be Rooted in Quantum Mechanics, Provide Insight, and Possess Predictive Power
Chem-Eur J., 2006, 12, 2902-2905
DOI: 10.1002/chem.200600057

Sergei F. Vyboishchikov, Georgii I. Nikonov
Unique {H(SiR3)2}, (H2SiR3), H(HSiR3), and (H2)SiR3 Ligand Sets Supported by the {Fe(Cp)(L)} Platform (L=CO, PR3)
Chem. Eur. J., 2006, 12, 8518-8533
DOI: 10.1002/chem.200600421

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