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Federico Totti

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Publications

TOP 3
Gopalan Rajaraman; Andrea Caneschi; Dante Gatteschi; Federico Totti
A periodic mixed gaussians-plane waves DFT study on simple thiols on Au(111): adsorbate species, surface reconstruction, and thiols functionalization.
Carla Bazzicalupi; Andrea Bencini; Silvia Biagini; Antonio Bianchi; Enrico Faggi; Claudia Giorgi; Melania Marchetta; Federico Totti; Barbara Valtancoli
Polyamine receptors containing dipyridine or phenanthroline units: clues for the design of fluorescent chemosensors for metal ions.
Gopalan Rajaraman; Federico Totti; Andrea Bencini; Andrea Caneschi; Roberta Sessoli; Dante Gatteschi
Density functional studies on the exchange interaction of a dinuclear Gd(iii)-Cu(ii) complex: method assessment, magnetic coupling mechanism and magneto-structural correlations.

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All Publications

2011: Gopalan Rajaraman; Andrea Caneschi; Dante Gatteschi; Federico Totti
A periodic mixed gaussians-plane waves DFT study on simple thiols on Au(111): adsorbate species, surface reconstruction, and thiols functionalization.
Physical chemistry chemical physics : PCCP 2011;13(9):3886-95.
2009: Carla Bazzicalupi; Andrea Bencini; Silvia Biagini; Antonio Bianchi; Enrico Faggi; Claudia Giorgi; Melania Marchetta; Federico Totti; Barbara Valtancoli
Polyamine receptors containing dipyridine or phenanthroline units: clues for the design of fluorescent chemosensors for metal ions.
Chemistry (Weinheim an der Bergstrasse, Germany) 2009;15(32):8049-63.
2009: Gopalan Rajaraman; Federico Totti; Andrea Bencini; Andrea Caneschi; Roberta Sessoli; Dante Gatteschi
Density functional studies on the exchange interaction of a dinuclear Gd(iii)-Cu(ii) complex: method assessment, magnetic coupling mechanism and magneto-structural correlations.
Dalton transactions (Cambridge, England : 2003) 2009;(17):3153-61.
2004: Andrea Bencini; Chiara Carbonera; Federico Totti
DFT description of the electronic structure and spectromagnetic properties of strongly correlated electronic systems: NiII, CuII and ZnII o-dioxolene complexes.
Chemistry (Weinheim an der Bergstrasse, Germany) 2004;10(6):1472-80.
2003: Andrea Bencini; Andrea Dei; Claudio Sangregorio; Federico Totti; Maria G F Vaz
Crystal and molecular structure and magnetic exchange properties of bis(di-micro-ethoxo-bis(3,5-di-tert-butylsemiquinonato)dicopper(II)) complex. A synergy between DFT and experimental magnetochemistry.
Inorganic chemistry 2003;42(24):8065-71.
2003: Andrea Bencini; Eckhard Bill; Andrea Scozzafava; Federico Totti
Density functional characterization of the chemoselective oxidation of catechol by using molecular oxygen: thermodynamics of the reaction between [(triphos)Ir(dtbc)]+ and O2.
Chemistry (Weinheim an der Bergstrasse, Germany) 2003;9(13):3015-23.
2002: Vincenzo Barone; Andrea Bencini; Dante Gatteschi; Federico Totti
DFT description of the magnetic properties and electron localization in dinuclear di-mu-oxo-bridged manganese complexes.
Chemistry (Weinheim an der Bergstrasse, Germany) 2002;8(21):5019-27.
2000: Andrea Bencini; E Bill; F Mariotti; Federico Totti; Andrea Scozzafava; A Vargas
Density functional description of the early stages of the dioxygenation of [(MeC(CH2PPh2)3)M(catecholate)]+ complexes [M = Co(III), Ir(III)]: toward a rationalization of the catalytic mechanism of ring-opening dioxygenases.
Inorganic chemistry 2000;39(7):1418-25.
2000: S Bayly; Jon A McCleverty; Michael D Ward; Dante Gatteschi; Federico Totti
Metal-metal interactions as a function of bridging ligand topology: an electrochemical, spectroelectrochemical, and magnetic study on dinuclear Oxo-Mo(V) complexes with various isomers of dihydroxynaphthalene as bridging ligand.
Inorganic chemistry 2000;39(6):1288-93.