Publications since 2005 of people currently working at ICCOM Pisa
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. Oligomers based on weak hydrogen bond networks: A rotational study of the tetramer of difluoromethane. Chemical Communications. 2014;50:171–173. Abstract
. Au24(SAdm)16 nanomolecules: X-ray crystal structure, theoretical analysis, adaptability of adamantane ligands to form Au23(SAdm)16and Au25(SAdm)16, and its relation to Au25(SR)18. Journal of the American Chemical Society [Internet]. 2014;136:14933–14940. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84908431029&partnerID=40&md5=82c6c1982c545fa6d4f5e996e26d1a6f Abstract
. 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
. Interactions between inorganic pigments and proteinaceous binders in reference paint reconstructions. Dalton Transactions [Internet]. 2013;42:5975–5984. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84875763698&partnerID=40&md5=2b571984b3c5c4cedad0a5bfd423d9e8 Abstract
. $\beta$-amyloid amorphous aggregates induced by the small natural molecule ferulic acid. Journal of Physical Chemistry B [Internet]. 2013;117:13816–13821. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84887743408&partnerID=40&md5=561aeec7ae675f0ff555afe74ea7e5a8 Abstract
. Conformational analysis of Gly-Ala-NHMe in D2O and DMSO solutions: A two-dimensional infrared spectroscopy study. Journal of Physical Chemistry B [Internet]. 2013;117:14226–14237. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84888582440&partnerID=40&md5=8321e87941549b3d687e98cd83ee1348 Abstract
. 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
. Exploring the conformational and reactive dynamics of biomolecules in solution using an extended version of the glycine reactive force field. Physical Chemistry Chemical Physics [Internet]. 2013;15:15062–15077. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84882985762&partnerID=40&md5=09faa00b89fff92beac4b2766329e167 Abstract
. $\gamma$-Glutamyltransferase catabolism of S-nitrosoglutathione modulates IL-8 expression in cystic fibrosis bronchial epithelial cells. Free Radical Biology and Medicine [Internet]. 2013;65:360–370. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84881179414&partnerID=40&md5=290b6af5b2dbab4adb10ef3fecea1a6d Abstract
. Hybrid density functional-molecular mechanics calculations for core-electron binding energies of glycine in water solution. Physical Chemistry Chemical Physics [Internet]. 2013;15:244–254. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84870944796&partnerID=40&md5=927f14dd6fa26154dcedb80dddb39359 Abstract
. Interaction of collagen with chlorosulphonated paraffin tanning agents: Fourier transform infrared spectroscopic analysis and molecular dynamics simulations. Physical Chemistry Chemical Physics [Internet]. 2013;15:14736–14747. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84882338954&partnerID=40&md5=9642f3c96b650d0615f60ca4ff6e315d Abstract
. 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
. Quantum-classical effective-modes dynamics of the $π$$π$ * → n$π$* decay in 9H-adenine. A quadratic vibronic coupling model. Faraday Discussions [Internet]. 2013;163:223–242. Available from: http://xlink.rsc.org/?DOI=c3fd20147c http://www.scopus.com/inward/record.url?eid=2-s2.0-84881110392&partnerID=40&md5=2e9d2340e611a739851d8b209eba73e7 Abstract
. Theoretical investigation of the coupling between hydrogen atoms transfer and stacking interaction in guanine-cytosine dimers. Physical Chemistry Chemical Physics [Internet]. 2013;15:19242–19252. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84886792397&partnerID=40&md5=1e5cf8f2441b9d5b74d8a1a927fe640b Abstract
. Theoretical investigation of the coupling between hydrogen-atom transfer and stacking interaction in adenine-thymine dimers. ChemPhysChem [Internet]. 2013;14:1256–1263. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84876061092&partnerID=40&md5=8d743454646084814e0d0c8dcbbe05c9 Abstract
. Transport properties of binuclear metal complexes of the VIII group using a simplified NEGF-DFT approach. Physical Chemistry Chemical Physics [Internet]. 2013;15:11409–11419. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84881096425&partnerID=40&md5=668d171db8b97013affa6b153ea82f6d Abstract
. Theoretical study of the conformational and optical properties of a fluorescent dye. A step toward modeling sensors grafted on polymer structures. Physical Chemistry Chemical Physics. 2011;13:21471–21478. Abstract
. Interaction of $\beta$-sheet folds with a gold surface. PLoS ONE [Internet]. 2011;6. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-79958162258&partnerID=40&md5=9d0efea0e8bd9a69527976f3b3ac2374 Abstract
. Molecular dynamics and Monte Carlo simulations for the structure of the aqueous trimethylammonium chloride solution in the 0.2-1 molar range. Physical Chemistry Chemical Physics [Internet]. 2011;13:6270–6279. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-79952714403&partnerID=40&md5=7928f2691ec94e4c90ae1994bfe68230 Abstract
. 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
. Levels of antioxidants and nutraceuticals in basil grown in hydroponics and soil. Food Chemistry [Internet]. 2010;123:416–422. Available from: http://linkinghub.elsevier.com/retrieve/pii/S0308814610005157 Abstract
. Analysis of commercial beverage products by size exclusion chromatography coupled with UV-vis absorbance detection and dynamic surface tension detection. Talanta [Internet]. 2010;80:1445–1451. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-71649100299&partnerID=40&md5=b40dc016328821650747b0523347025f Abstract
. Computational study of the one- And two-photon absorption and circular dichroism of (L)-tryptophan. Journal of Physical Chemistry B [Internet]. 2010;114:6500–6512. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-77955495044&partnerID=40&md5=151b1f5adc7645a54c6417cb2ff546bf Abstract
. Theoretical investigation of hydrogen atom transfer in the adenine-thymine base pair and its coupling with the electronic rearrangement. Concerted vs. stepwise mechanism. Physical Chemistry Chemical Physics [Internet]. 2010;12:2664–2669. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-77749299067&partnerID=40&md5=634150a890ab782560a061c494c8a2a8 Abstract
. Theoretical investigation of hydrogen atom transfer in the cytosine-guanine base pair and its coupling with electronic rearrangement. Concerted vs stepwise mechanism. Journal of Physical Chemistry B [Internet]. 2010;114:9653–9662. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-77954906453&partnerID=40&md5=78202ab46ec3c1dc7b03c1a78db50b74 Abstract