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Results: 504

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

Eduard Matito, Juan Manuel Barroso, Emili Besalú, Ove Christiansen, Josep M. Luis
The vibrational auto-adjusting perturbation theory
Theor Chem Acc, 2009, 123, 41-49
DOI: 10.1007/s00214-009-0535-y

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

Alexander A. Voityuk
Charge-on-site scheme to estimate the electronic coupling in electron transfer systems
Chemical Physics Letters, 2008, 451, 153-157
DOI: 10.1016/j.cplett.2007.11.080

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

Anna Company, Nans Roques, Mireia Güell, Veronica Mugnaini, Laura Gómez, Inhar Imaz, Angela Datcu, Miquel Solà, Josep M. Luis, Jaume Veciana, Xavi Ribas, Miquel Costas
Nanosized trigonal prismatic and antiprismatic CuII coordination cages based on tricarboxylate linkers
Dalton Trans., 2008, 0, 1679-1682
DOI: 10.1039/b800027c

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

Dmitry V. Gutsulyak, Lyudmila G. Kuzmina, Judith A. K. Howard, Sergei F. Vyboishchikov, Georgii I. Nikonov
Cp(Pr 2 MeP)FeH2 SiR3 :  Nonclassical Iron Silyl Dihydride
J. Am. Chem. Soc., 2008, 130, 3732-3733
DOI: 10.1021/ja800983n

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