Publications since 2005 of people currently working at ICCOM Pisa

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Martini F, Borsacchi S, Spera S, Carbonera C, Cominetti A, Geppi M. P3HT/PCBM Photoactive Materials for Solar Cells: Morphology and Dynamics by Means of Solid-State NMR. The Journal of Physical Chemistry C [Internet]. 2013;117:131–139. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84872380265&partnerID=40&md5=0ade9bd9f946428c6697ee3b56dbe9d2 http://pubs.acs.org/doi/abs/10.1021/jp3103904

Oberhauser W, Evangelisti C, Jumde RP, Petrucci G, Bartoli M, Frediani M, Mannini M, Capozzoli L, Passaglia E, Rosi L. Palladium-nanoparticles on end-functionalized poly(lactic acid)-based stereocomplexes for the chemoselective cinnamaldehyde hydrogenation: Effect of the end-group. Journal of Catalysis. 2015;330:187 - 196. Abstract

Barone V, Cacelli I, Ferretti A, Monti S, Prampolini G. Parameterization and validation of an accurate force-field for the simulation of alkylamine functionalized silicon (111) surfaces. Physical chemistry chemical physics . 2010;12:4201–4209. Abstract

Prampolini G. Parametrization and validation of coarse grained force-fields derived from ab initio calculations. Journal of Chemical Theory and Computation [Internet]. 2006;2:556–567. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-33750176629&partnerID=40&md5=9025850c3899c040c6cac816923155ef Abstract

Cacelli I, Prampolini G. {Parametrization and Validation of Intramolecular Force Fields Derived from DFT Calculations}. J. Chem. Theor. Comput. 2007;3:1803–1817. Abstract

Cavallari M, Ghio C, Monti S, Ferrario M, Maritan A, Carloni P. Partially folded states of HIV-1 protease: Molecular dynamics simulations and ligand binding. Journal of Molecular Structure: THEOCHEM [Internet]. 2006;769:111–121. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-33748464507&partnerID=40&md5=a8b866527c16a5dc3643be84cb68c049 Abstract

Barcaro G, Fortunelli A, Polak M, Rubinovich L. Patchy multishell segregation in Pd-Pt alloy nanoparticles. Nano Letters [Internet]. 2011;11:1766–1769. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-79954490696&partnerID=40&md5=3d465001c1e9c86b3fa65e6cde10b9e2 Abstract

Giachi G, Frediani M, Oberhauser W, Passaglia E. Pd(II)-Pyridine Macrocomplexes Based on Poly(lactide). Journal of Polymer Science Part A: Polymer Chemistry. 2011;49.

Giachi G, Oberhauser W, Frediani M, Passaglia E, Capozzoli L, Rosi L. Pd-nanoparticles stabilized by pyridine-functionalized poly(ethylene glycol) as catalyst for the aerobic oxidation of alpha,beta-unsaturated alcohols in water. Journal of Polymer Science, Part A: Polymer Chemistry. 2013;51:2518–2526.

Petrucci G, Oberhauser W, Bartoli M, Giachi G, Frediani M, Passaglia E, Capozzoli L, Rosi L. Pd-nanoparticles supported onto functionalized poly(lactic acid)-based stereocomplexes for partial alkyne hydrogenation. Applied Catalysis A: General. 2014;469:132–138.

Iucci G, Battocchio C, Dettin M, Gambaretto R, Di Bello C, Borgatti F, Carravetta V, Monti S, Polzonetti G. Peptides adsorption on TiO2 and Au: Molecular organization investigated by NEXAFS, XPS and IR. Surface Science [Internet]. 2007;601:3843–3849. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-34548647985&partnerID=40&md5=c98d4bcacc5b6ba9aa394a66560fed31 Abstract

Carravetta V, Monti S. Peptide-TiO2 surface interaction in solution by AB initio and molecular dynamics simulations. Journal of Physical Chemistry B [Internet]. 2006;110:6160–6169. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-33645807591&partnerID=40&md5=37f82cea42f36cfb0ab1a0c8237ad705 Abstract

Cacelli I, Ferretti A, Prampolini G. Perturbative Multireference Configuration Interaction (CI-MRPT2) Calculations in a Focused Dynamical Approach: A Computational Study of Solvatochromism in Pyrimidine. Journal of Physical Chemistry A. 2015. Abstract

Sgherri C, Perez-Lopez U, Pinzino C, Quartacci MF, Ranieri A. Phenolic Composition and Related Antioxidant Properties in Differently Colored Lettuces: A Study by Electron Paramagnetic Resonance (EPR) Kinetics. Journal of agricultural and food chemistry. 2014;62(49):12001-12007. Abstract

Ferrari C, Chen H, Lavezza R, Santinelli C, Longo I, Bramanti E. Photodegradation of rhodamine B using the microwave/UV/H2O 2: Effect of temperature. International Journal of Photoenergy [Internet]. 2013;2013. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84885403817&partnerID=40&md5=f7b65e8d380dc44562afa51d2a0e4af4 Abstract

Duce C, Ghezzi L, Onor M, Bonaduce I, Colombini MP, Tiné MR, Bramanti E. Physico-chemical characterization of protein pigment interactions in tempera paint reconstructions: casein/cinnabar and albumin/cinnabar. Analytical and Bioanalytical Chemistry. 2012;402:2183–2193.

Cristoforetti G, Pitzalis E, Spiniello R, Ishak R, Giammanco F, Muniz-Miranda M, Caporali S. Physico-chemical properties of Pd nanoparticles produced by Pulsed Laser Ablation in different organic solvents. Applied Surface Science. 2012;258.

Doria E, Galleschi L, Calucci L, Pinzino C, Pilu R, Cassani E, Nielsen E. Phytic acid prevents oxidative stress in seeds: evidence from a maize (Zea mays L.) low phytic acid mutant. JOURNAL OF EXPERIMENTAL BOTANY. 2009;60:967–978. Abstract

De Giacomo A, Dell'Aglio M, De Pascale O, Gaudiuso R, Palleschi V, Parigger C, Woods A. Plasma processes and emission spectra in laser induced plasmas: A point of view. Spectrochimica Acta - Part B Atomic Spectroscopy [Internet]. 2014;100:180–188. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84908207191&partnerID=40&md5=637064a83d2d06d2cf954e9f841a672a

Miller HA, Moneti S, Vizza F, Passaglia E, Bianchini C, Bronco S, Ceriegi S, Sulcis R, Frediani M, Ciardelli F, et al. Polyketone nanocomposites by palladium-catalyzed ethylene-carbon monoxide-(propene) Co(ter)polymerization inside an unmodified layered silicate. E-Polymers. 2006:1–12.

Ghimenti S, Di Francesco F, Onor M, Stiegel MA, Trivella MG, Comite C, Catania N, Fuoco R, Pleil JD. Post-operative elimination of sevoflurane anesthetic and hexafluoroisopropanol metabolite in exhaled breath: Pharmacokinetic models for assessing liver function. Journal of Breath Research [Internet]. 2013;7. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84884156128&partnerID=40&md5=70bb10e68a971db7a39e8ef31884d0ff

Hellman A, Baerends EJ, Biczysko M, Bligaard T, Christensen CH, Clary DC, Dahl S, Van Harrevelt R, Honkala K, Jonsson H, et al. Predicting catalysis: Understanding ammonia synthesis from first-principles calculations. Journal of Physical Chemistry B. 2006;110:17719–17735. Abstract

Rossi G, Anghinolfi L, Ferrando R, Nita F, Barcaro G, Fortunelli A. Prediction of the structures of free and oxide-supported nanoparticles by means of atomistic approaches: The benchmark case of nickel clusters. Physical Chemistry Chemical Physics [Internet]. 2010;12:8564–8570. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-77955009836&partnerID=40&md5=29a1e5ad18c68978e385d952bf3d3aa6 Abstract

Pérez Amaro L, Coiai S, Ciardelli F, Passaglia E. Preparation and testing of a solid secondary plasticizer for PVC produced by chemical degradation of post-consumer PET”. Waste Management. 2015. Abstract

Borsacchi S, Geppi M, Ricci L, Cardelli A, Ruggeri G. Preparation, characterization and solid state NMR investigation of a dye-containing smectite clay. Studia Universitatis Babes-Bolyai Chemia [Internet]. 2011;56:15–26. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84855265153&partnerID=40&md5=69f39bd3e23f700d3a328a728d523149