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Results: 1477

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

Anna Company, Laura Gómez, Xavier Fontrodona, Xavi Ribas, Miquel Costas
A Novel Platform for Modeling Oxidative Catalysis in NonHeme Iron Oxygenases with Unprecedented Efficiency
Chem-Eur J., 2008, 14, 5727-5731
DOI: 10.1002/chem.200800724

Sandra Brun, Lídia Garcia, Iván González, Anna Torrent, Anna Dachs, Anna Pla-Quintana, Teodor Parella, Anna Roglans
Fused tetracycles with a benzene or cyclohexadiene core: [2 + 2 + 2] cycloadditions on macrocyclic systems
Chem. Commun., 2008, 0, 4339-4341
DOI: 10.1039/b806524a

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

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

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