Publications since 2005 of people currently working at ICCOM Pisa

Found 643 results

Sort by: Author Title Type [ Year (Desc)]
2014
Schouteden K, Lauwaet K, Janssens E, Barcaro G, Fortunelli A, Van Haesendonck C, Lievens P. Probing the atomic structure of metallic nanoclusters with the tip of a scanning tunneling microscope. Nanoscale [Internet]. 2014;6:2170–2176. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84893326522&partnerID=40&md5=16896d8f0f0d27fae9e652e7ccd3a47b Abstract
Improta R, Ferrer FJA, Stendardo E, Santoro F. Quantum-classical calculation of the absorption and emission spectral shapes of oligothiophenes at low and room temperature by first-principle calculations. ChemPhysChem [Internet]. 2014;15:3320–3333. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84908006292&partnerID=40&md5=6b843c9e74f24e67001b22e0cb546016 Abstract
Steurer W, Surnev S, Netzer FP, Sementa L, Negreiros FR, Barcaro G, Durante N, Fortunelli A. Redox processes at a nanostructured interface under strong electric fields. Nanoscale [Internet]. 2014;6:10589–10595. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84906569145&partnerID=40&md5=977594e563d0c17b5e7751e60649075f Abstract
Santoro F, Improta R, Fahleson T, Kauczor J, Norman P, Coriani S. Relative stability of the La and Lb excited states in adenine and guanine: Direct evidence from TD-DFT calculations of MCD spectra.; 2014 p. 1806–1811. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84902075875&partnerID=40&md5=66826b56424b94b8aef5f5b1de95dba0
Rasmussen KL, Tenorio AL, Bonaduce I, Colombini MP, Birolo L, Galano E, Amoresano A, Doudna G, Bond AD, Palleschi V, et al. Reply to Ira Rabin's Comment on our paper Rasmussen etal. (2012). Journal of Archaeological Science [Internet]. 2014;43:155–158. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84892884307&partnerID=40&md5=1d2e82ab732e08d2ccd9814e36f1c6d9
Barone V, Biczysko M, Bloino J, Carta L, Pedone A. Reprint of "Environmental and dynamical effects on the optical properties of molecular systems by time-independent and time-dependent approaches: Coumarin derivatives as test cases". Computational and Theoretical Chemistry [Internet]. 2014;1040-1041:144–157. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84898984178&partnerID=40&md5=33e1633ac0232c89a18260cc0070ec92 http://www.scopus.com/inward/record.url?eid=2-s2.0-84903819467&partnerID=40&md5=bcd63afb35e3ec7322e889bc7c319ec5 Abstract
Egidi F, Bloino J, Cappelli C, Barone V. A robust and effective time-independent route to the calculation of resonance Raman spectra of large molecules in condensed phases with the inclusion of Duschinsky, Herzberg-Teller, anharmonic, and environmental effects. Journal of Chemical Theory and Computation [Internet]. 2014;10:346–363. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84892578526&partnerID=40&md5=de34eab90b232eca3aba4595703f005d
Tofanelli M, Pardini L, Borrini M, Bartoli F, Bacci A, D'Ulivo A, Pitzalis E, Mascherpa MC, Legnaioli S, Lorenzetti G, et al. Spectroscopic analysis of bones for forensic studies. Spectrochimica Acta - Part B Atomic Spectroscopy [Internet]. 2014;99:70–75. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84904365886&partnerID=40&md5=71d89da11fd7a2ead7db23b5a4999fa5
Egidi F, Giovannini T, Piccardo M, Bloino J, Cappelli C, Barone V. Stereoelectronic, vibrational, and environmental contributions to polarizabilities of large molecular systems: A feasible anharmonic protocol. Journal of Chemical Theory and Computation [Internet]. 2014;10:2456–2464. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84902187898&partnerID=40&md5=dd3daa9c7e726f3e0cd031348c82459b
Hromadová M, Valášek M, Fanelli N, Randriamahazaka HN, Pospíšil L. Stochastic resonance in electron transfer oscillations of extended viologen. Journal of Physical Chemistry C [Internet]. 2014;118:9066–9072. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84899786806&partnerID=40&md5=81ee7160e8a42205abf7f85226d5a4ba Abstract
Villani G. Structured system in chemistry: Comparison with mechanics and biology. Foundations of Chemistry [Internet]. 2014;16:107–123. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84903629826&partnerID=40&md5=9b4b2208c7694a459185a380f41bd0ab Abstract
Lessi M, Manzini C, Minei P, Perego LA, Bloino J, Egidi F, Barone V, Pucci A, Bellina F. Synthesis and optical properties of imidazole-based fluorophores having high quantum yields. ChemPlusChem [Internet]. 2014;79:366–370. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84896369133&partnerID=40&md5=1cf6550b693ea713687b63fb3e7265da
Cheng D, Xu H, Fortunelli A. Tuning the catalytic activity of Au-Pd nanoalloys in CO oxidation via composition. Journal of Catalysis [Internet]. 2014;314:47–55. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84899578656&partnerID=40&md5=7144ce1bfb11b37cec88bb7f4c57de30 Abstract
Lapini A, Fabbrizzi P, Piccardo M, Di Donato M, Lascialfari L, Foggi P, Cicchi S, Biczysko M, Carnimeo I, Santoro F, et al. Ultrafast resonance energy transfer in the umbelliferone-alizarin bichromophore.; 2014 p. 10059–10074. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84899881480&partnerID=40&md5=833754ea8acaa140f39d853f25737ce7
Donadio C, Calia D, Ghimenti S, Onor M, Colombini E, Fuoco R, Di Francesco F. Uric acid is the major determinant of absorbance in spent dialysate allowing spectrophotometric evaluation of dialysis dose. Journal of Nephrology [Internet]. 2014;27:331–337. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84901030138&partnerID=40&md5=6bd0c3bbd8391312ad530889b6f48401
2013
Cappelletto E, Borsacchi S, Geppi M, Ridi F, Fratini E, Baglioni P. Comb-Shaped Polymers as Nanostructure Modifiers of Calcium Silicate Hydrate: A 29Si Solid-State NMR Investigation. The Journal of Physical Chemistry C [Internet]. 2013;117:22947–22953. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84889802100&partnerID=40&md5=efeb6c4b92d0072d4ba8d5ecdf633cf3 http://pubs.acs.org/doi/abs/10.1021/jp407740t Abstract
Galletti AMR, Toniolo L, Antonetti C, Evangelisti C, Forte C. Corrigendum to “New palladium catalysts on polyketone prepared through different smart methodologies and their use in the hydrogenation of cinnamaldehyde” [Appl. Catal. A: Gen. 447–448 (2012) 49–59]. Applied Catalysis A: General [Internet]. 2013;468:9. Available from: http://linkinghub.elsevier.com/retrieve/pii/S0926860X13005140
Marchetti F, Pampaloni G, Pinzino C, Zacchini S. Stable [M2F11 ] - (M = Nb, Ta) Salts of Protonated 1,3-Dimethoxybenzene. European Journal of Inorganic Chemistry [Internet]. 2013;2013:5755–5761. Available from: http://doi.wiley.com/10.1002/ejic.201300961 Abstract
Calabrese EC, Castellano S, Santoriello M, Sgherri C, Quartacci MF, Calucci L, Warrilow AGS, Lamb DC, Kelly SL, Milite C, et al. Antifungal activity of azole compounds CPA18 and CPA109 against azole-susceptible and -resistant strains of Candida albicans. The Journal of antimicrobial chemotherapy [Internet]. 2013;68:1111–1119. Available from: http://www.ncbi.nlm.nih.gov/pubmed/23292344 Abstract
Borsacchi S, Sudhakaran U, Geppi M, Ricci L, Liuzzo V, Ruggeri G. Synthesis, characterization, and solid-state NMR investigation of organically modified bentonites and their composites with LDPE. Langmuir : the ACS journal of surfaces and colloids [Internet]. 2013;29:9164–9172. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84880638079&partnerID=40&md5=6c9492d5233454996e8fa909480d7743 http://www.ncbi.nlm.nih.gov/pubmed/23786424 Abstract
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
De Mitri N, Monti S, Prampolini G, Barone V. Absorption and emission spectra of a flexible dye in solution: A computational time-dependent approach. Journal of Chemical Theory and Computation. 2013;9:4507–4516. Abstract
Coiai S, Prevosto D, Bertoldo M, Conzatti L, Causin V, Pinzino C, Passaglia E. Chemistry of interfacial interactions in a ldpe-based nanocomposite and their effect on the nanoscale hybrid assembling. Macromolecules. 2013;46:1563–1572.
Prampolini G, Bellina F, Biczysko M, Cappelli C, Carta L, Lessi M, Pucci A, Ruggeri G, Barone V. Computational Design, Synthesis, and Mechanochromic Properties of New Thiophene-Based π-Conjugated Chromophores. Chemistry-A European Journal. 2013;19:1996 – 2004. Abstract
Barone V, Boilleau C, Cacelli I, Ferretti A, Prampolini G. Conformational effects on the magnetic properties of an organic diradical: A computational study. Journal of Chemical Theory and Computation. 2013;9:1958–1963. Abstract

User login