Publications since 2005 of people currently working at ICCOM Pisa

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Saiter A, Prevosto D, Passaglia E, Couderc H, Delbreilh L, Saiter JM. Cooperativity length scale in nanocomposites: Interfacial and confinement effects. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 2013;88.

Santoro F, Barone V, Gustavsson T, Improta R. Solvent effect on the singlet excited-state lifetimes of nucleic acid bases: A computational study of 5-fluorouracil and uracil in acetonitrile and water.; 2006 p. 16312–16322. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-33845573545&partnerID=40&md5=2e2651b7040fe5b1f92e2f4892f8589f

Santoro F, Barone V, Improta R. Influence of base stacking on excited-state behavior of polyadenine in water, based on time-dependent density functional calculations.; 2007 p. 9931–6. Available from: http://www.pubmedcentral.nih.gov/articlerender.fcgi?artid=1891264&tool=pmcentrez&rendertype=abstract Abstract

Santoro F, Improta R, Lami A, Bloino J, Barone V. Effective method to compute Franck-Condon integrals for optical spectra of large molecules in solution (vol 126, pg 084509, 2007). JOURNAL OF CHEMICAL PHYSICS. 2007;126.

Santoro F, Gustavsson T, Lami S, Barone V, Improta R. Towards the understanding of the excited state dynamics of nucleic acids: Solvent and stacking effect on the photophysical behavior of nucleobases.; 2007 p. 631–634. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-71449125084&partnerID=40&md5=47b843602cb7e97312a0b8b39ea8d2ba

Santoro F, Barone V, Benzi C, Improta R. Excited state properties of sizable molecules in solution: From structure to reactivity.; 2007 p. 1073–1084. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-34247564646&partnerID=40&md5=88732cae510358b1657ab8dbcb7f0e59

Santoro F, Improta R, Avila F, Segado M, Lami A. The interplay between neutral exciton and charge transfer states in single-strand polyadenine: A quantum dynamical investigation. Photochemical and Photobiological Sciences [Internet]. 2013;12:1527–1543. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84881093177&partnerID=40&md5=da255e7b5468519274f899d04c898d0f Abstract

Santoro F, Barone V, Improta R, Lami A, Olivucci M. Quantum dynamics of ultrafast photoinduced processes in biological molecules.; 2007 p. 667–670. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-71449124601&partnerID=40&md5=5e3117a01f05937068ed02e85dd27311

Santoro F, Lami A, Improta R, Barone V. Effective method to compute vibrationally resolved optical spectra of large molecules at finite temperature in the gas phase and in solution.; 2007 p. 184102. Available from: http://www.ncbi.nlm.nih.gov/pubmed/17508787 Abstract

Santoro F, Barone V, Lami A, Improta R. The excited electronic states of adenine-guanine stacked dimers in aqueous solution: A PCM/TD-DFT study.; 2010 p. 4934–4948. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-77951951282&partnerID=40&md5=58cacf41e0f9720b0b1625c8cbffafb2

Santoro F, Improta R, Lami A, Bloino J, Barone V. Erratum: “Effective method to compute Franck-Condon integrals for optical spectra of large molecules in solution” [J. Chem. Phys. 126, 084509 (2007)].; 2007 p. 169903. Available from: http://scitation.aip.org/content/aip/journal/jcp/126/16/10.1063/1.2722259

Santoro F, Lami A, Olivucci M. Complex excited dynamics around a plateau on a retinal-like potential surface: Chaos, multi-exponential decays and quantum/classical differences.; 2007 p. 1061–1072. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-34247619395&partnerID=40&md5=04c72b90e4826b499831020ebbb39252

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

Santoro F, Barone V. Computational approach to the study of the lineshape of absorption and electronic circular dichroism spectra.; 2010 p. 476–486.

Scafato P, Caprioli F, Pisani L, Padula D, Santoro F, Mazzeo G, Abbate S, Lebon F, Longhi G. Combined use of three forms of chiroptical spectroscopies in the study of the absolute configuration and conformational properties of 3-phenylcyclopentanone, 3-phenylcyclohexanone, and 3-phenylcycloheptanone.; 2013 p. 10752–10762. Available from: http://linkinghub.elsevier.com/retrieve/pii/S0040402013015500

Scaffaro R, Botta L, Passaglia E, Oberhauser W, Frediani M, Di Landro L. Comparison of different processing methods to prepare poly(lactid acid)-hydrotalcite composites. Polymer Engineering and Science. 2014;54:1804–1810.

Schiccheri N, Pasquini M, Piani G, Pietraperzia G, Becucci M, Biczysko M, Bloino J, Barone V. Integrated experimental and computational spectroscopy study on $π$-stacking interaction: the anisole dimer. Physical Chemistry Chemical Physics. 2010;12:13547\{$\backslash$textendash\}13554.

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

Schweitzer-Stenner R, Measey T, Kakalis L, Jordan F, Pizzanelli S, Forte C, Griebenow K. Conformations of alanine-based peptides in water probed by FTIR, Raman, vibrational circular dichroism, electronic circular dichroism, and NMR spectroscopy. Biochemistry [Internet]. 2007;46:1587–96. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-33847029566&partnerID=40&md5=7d57deb9fe34e2c91139df81514e93a2 Abstract

Sementa L, Marini A, Barcaro G, Negreiros FR, Fortunelli A. Electronic excited states at ultrathin dielectric-metal interfaces. PHYSICAL REVIEW B. 2013;88:125413.

Sementa L, Barcaro G, Negreiros FR, Thomas IO, Netzer FP, Ferrari AM, Fortunelli A. Work Function of Oxide Ultrathin Films on the Ag(100) Surface. JOURNAL OF CHEMICAL THEORY AND COMPUTATION [Internet]. 2012;8:629–638. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84857097133&partnerID=40&md5=2928b0fab1e1aa985179a21d03f5a71b Abstract

Senesi GS, Benedetti PA, Cristoforetti G, Legnaioli S, Palleschi V. Hydrogen Balmer alpha line behavior in Laser-Induced Breakdown Spectroscopy depth scans of Au, Cu, Mn, Pb targets in air. SPECTROCHIMICA ACTA PART B-ATOMIC SPECTROSCOPY. 2010;65:557–564. Abstract

Sgarbossa A, Monti S, Lenci F, Bramanti E, Bizzarri R, Barone V. The effects of ferulic acid on $\beta$-amyloid fibrillar structures investigated through experimental and computational techniques. Biochimica et Biophysica Acta - General Subjects [Internet]. 2013;1830:2924–2937. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84873723882&partnerID=40&md5=b05a4b8de003e4f09179ad54d83ce75c Abstract

Sgherri C, Porta A, Castellano S, Pinzino C, Quartacci MF, Calucci L. Effects of azole treatments on the physical properties of Candida albicans plasma membrane: a spin probe EPR study. Biochimica et biophysica acta [Internet]. 2014;1838:465–473. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84888185652&partnerID=40&md5=abfbf4b52a9f5c3dfbde924352d19eb1 http://www.ncbi.nlm.nih.gov/pubmed/24184423 Abstract

Sgherri C, Pinzino C, Quartacci MF. ANTIOXIDANT POTENTIAL IN LIPOPHILIC AND HYDROPHILIC EXTRACTS FROM MEDICINAL HERBS (SALVIA OFFICINALIS AND ECHINACEA ANGUSTIFOLIA). A COMPARISON BETWEEN ASSAYS BASED ON ELECTRON PARAMAGNETIC RESONANCE AND SPECTROPHOTOMETRY. American Journal of Agricultural and Biological Sciences [Internet]. 2012;7:417–424. Available from: http://thescipub.com/abstract/10.3844/ajabssp.2012.417.424 Abstract