Publications

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Results: 269

Miquel Solà, Ferran Feixas, J. Oscar C. Jiménez-Halla, Eduard Matito, Jordi Poater
A Critical Assessment of the Performance of Magnetic and Electronic Indices of Aromaticity
Symmetry, 2010, 2, 1156-1179
DOI: 10.3390/sym2021156

C. Fonseca Guerra, T. van der Wijst, Jordi Poater, Marcel Swart, F. Matthias Bickelhaupt
Adenine versus guanine quartets in aqueous solution: dispersion-corrected DFT study on the differences in -stacking and hydrogen-bonding behavior
Theor Chem Acc, 2010, 125, 245-252
DOI: 10.1007/s00214-009-0634-9

Scott A. Sulway, Roman Girshfeld, Sophia A. Solomon, Christopher A. Muryn, Jordi Poater, Miquel Solà, F. Matthias Bickelhaupt, Richard A. Layfield
Alkali Metal Complexes of Silyl-Substituted ansa-(Tris)allyl Ligands: Metal‐, Co-Ligand- and Substituent‐Dependent Stereochemistry
Eur. J. Inorg. Chem., 2009, 2009, 4157-4167
DOI: 10.1002/ejic.200900618

Albert Poater, Ana Gallegos Saliner, Ramon Carbó-Dorca, Jordi Poater, Miquel Solà, Luigi Cavallo, Andrew P. Worth
Modeling the structure-property relationships of nanoneedles: A journey toward nanomedicine
J. Comput. Chem., 2009, 30, 275-284
DOI: 10.1002/jcc.21041

Lluís Blancafort, Miquel Duran, Jordi Poater, Pedro Salvador, Sílvia Simon, Miquel Solà, Alexander A. Voityuk
Excess charge delocalization in organic and biological molecules: some theoretical notions
Theor Chem Acc, 2009, 123, 29-40
DOI: 10.1007/s00214-009-0538-8

Albert Poater, Anna Garriga
Tourism in European Cities: Insights into the Dynamics of Weekend Hotel Accommodation
Tourism Economics, 2009, 15, 41-86
DOI: 10.5367/000000009787536744

Albert Poater, Joaquim Mola, Ana Gallegos Saliner, Isabel Romero, Montserrat Rodríguez, Antoni Llobet, Miquel Solà
Mechanistic theoretical insight of Ru(II) catalysts with a meridionalfacial bpea fashion competition
Chemical Physics Letters, 2008, 458, 200-204
DOI: 10.1016/j.cplett.2008.04.110

Ana Gallegos Saliner, Albert Poater, Andrew P. Worth
Toward in silico approaches for investigating the activity of nanoparticles in therapeutic development
IDrugs, 2008, 11, 728-732
DOI: No DOI available
Keywords: Chemical bonding, Computational chemistry, Density Functional Theory

Xavier Sala, Albert Poater, Alexander von Zelewsky, Teodor Parella, Xavier Fontrodona, Isabel Romero, Miquel Solà, Montserrat Rodríguez, Antoni Llobet
New Ruthenium(II) Complexes with Enantiomerically Pure Bis- and Tris(pinene)-Fused Tridentate Ligands. Synthesis, Characterization and Stereoisomeric Analysis
Inorg. Chem., 2008, 47, 8016-8024
DOI: 10.1021/ic800252f

Albert Poater, Xavi Ribas, Antoni Llobet, Luigi Cavallo, Miquel Solà
Complete Mechanism of σ* Intramolecular Aromatic Hydroxylation through O₂ Activation by a Macrocyclic Dicopper(I) Complex
J. Am. Chem. Soc., 2008, 130, 17710-17717
DOI: 10.1021/ja801913b