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Results: 1059

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

Anna Company, Sara Palavicini, Isaac Garcia-Bosch, Ruben Mas-Ballesté, Lawrence Que, Elena V. Rybak-Akimova, Luigi Casella, Xavi Ribas, Miquel Costas
Tyrosinase-Like Reactivity in a CuIII2(-O)2 Species
Chem-Eur J., 2008, 14, 3535-3538
DOI: 10.1002/chem.200800229

Salvatore Filippone, Marta Izquierdo Barroso, Ángel 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 Fillipone, Marta Izquierdo Barroso, Ángel Martín Domenech, Silvia Osuna, Miquel Solà, Nazario Martin
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

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