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Results: 1524

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

Salvatore Filippone, Marta Izquierdo Barroso, Angel Martín-Domenech, Sílvia Osuna, Miquel Solà, Nazario Martín
On the Mechanism of the Thermal Retrocycloaddition of Pyrrolidinofullerenes (Retro-Prato Reaction)
Chem-Eur J., 2008, 14, 5198-5206
DOI: 10.1002/chem.200800096

Salvatore Filipone, Marta Izquierdo Barroso, Angel Martín-Domenech, Silvia Osuna, Miquel Solà, Nazario Martín
On the Mechanism of the Thermal Retro‐Cycloaddition of Fulleropyrrolidines (Retro‐Prato Reaction)
Chem-Eur J., 2008, 14, 5709-5709
DOI: 10.1002/chem.200890073

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

Eduard Matito
Comment to ‘A new population analysis: Dipole-moment-conserving charge-set’ by H. Sato, S. Skaki [Chem. Phys. Lett. 434 (2007) 165]
Chemical Physics Letters, 2008, 451, 169-170
DOI: 10.1016/j.cplett.2007.11.075

J. Oscar C. Jiménez-Halla, Juvencio Robles, Miquel Solà
Coordination of bis(tricarbonylchromium) complexes to small polycyclic aromatic hydrocarbons: Structure, relative stabilities, and bonding
Chemical Physics Letters, 2008, 465, 181-189
DOI: 10.1016/j.cplett.2008.10.001

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

Adrià Gil, Sílvia Simon, Mariona Sodupe, Juan Bertrán
How the site of ionisation influences side-chain fragmentation in histidine radical cation
Chemical Physics Letters, 2008, 451, 276-281
DOI: 10.1016/j.cplett.2007.11.098
Keywords: Ab initio theory, Chemical bonding, Computational chemistry, Density Functional Theory, Reaction mechanisms

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