Publications since 2005 of people currently working at ICCOM Pisa

Found 643 results

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2014
Prampolini G, Yu P, Pizzanelli S, Cacelli I, Yang F, Zhao J, Wang J. Structure and Dynamics of Ferrocyanide and Ferricyanide Anions in Water and Heavy Water: An Insight by MD Simulations and 2D IR Spectroscopy. Journal of Physical Chemistry B. 2014;118:14899–14912. Abstract
González-Rivera J, Tovar-Rodríguez J, Bramanti E, Duce C, Longo I, Fratini E, Galindo-Esquivel IR, Ferrari C. Surfactant recovery from mesoporous metal-modified materials (Sn-, Y-, Ce-, Si-MCM-41), by ultrasound assisted ion-exchange extraction and its re-use for a microwave in situ cheap and eco-friendly MCM-41 synthesis. Journal of Materials Chemistry A [Internet]. 2014;2:7020–7033. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84898867835&partnerID=40&md5=b3e277816bfc2e7a2705bd434b544395 Abstract
Martini F, Borsacchi S, Geppi M, Ruggeri G, Pucci A. Understanding the aggregation of bis(benzoxazolyl)stilbene in PLA/PBS blends: a combined spectrofluorimetric, calorimetric and solid state NMR approach. Polymer Chemistry [Internet]. 2014;5:828-835. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84891408328&partnerID=40&md5=53a4c4afa684c9d09d2d4d362b6f05ef http://xlink.rsc.org/?DOI=c3py01039b
Barone V, Cacelli I, Crescenzi O, D'Ischia M, Ferretti A, Prampolini G, Villani G. Unraveling the interplay of different contributions to the stability of the quinhydrone dimer. RSC Advances. 2014;4:876–885. Abstract
Puzzarini C, Biczysko M, Barone V, Largo L, Peña I, Cabezas C, Alonso JL. Accurate characterization of the peptide linkage in the gas phase: A joint quantum-chemical and rotational spectroscopy study of the glycine dipeptide analogue. Journal of Physical Chemistry Letters [Internet]. 2014;5:534–540. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84893873084&partnerID=40&md5=d412e8879f5e7ea5e43491753d118585 Abstract
Barone V, Biczysko M, Bloino J, Puzzarini C. Accurate molecular structures and infrared spectra of trans-2,3- dideuterooxirane, methyloxirane, and trans-2,3-dimethyloxirane. Journal of Chemical Physics [Internet]. 2014;141. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84904693803&partnerID=40&md5=dee6e918f24d8258bb79f2e49ea13883
Puzzarini C, Biczysko M, Bloino J, Barone V. Accurate spectroscopic characterization of oxirane: A valuable route to its identification in titan's atmosphere and the assignment of unidentified infrared bands. Astrophysical Journal [Internet]. 2014;785. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84897980136&partnerID=40&md5=3b1ab1ab3668eec510754f862a9203aa
Puzzarini C, Ali A, Biczysko M, Barone V. Accurate spectroscopic characterization of protonated oxirane: A potential prebiotic species in titan's atmosphere. Astrophysical Journal [Internet]. 2014;792. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84906724981&partnerID=40&md5=c41a491b43ead019e16c8ab9835648f4 Abstract
Duce C, Bernazzani L, Bramanti E, Spepi A, Colombini MP, Tiné MR. Alkyd artists' paints: Do pigments affect the stability of the resin? A TG and DSC study on fast-drying oil colours. Polymer Degradation and Stability [Internet]. 2014;105:48–58. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84899474204&partnerID=40&md5=9b62b6f37b16da0b638eb429b856261b Abstract
Pagliano E, Onor M, McCooeye M, D'Ulivo A, Sturgeon RE, Mester Z. Application of direct analysis in real time to a multiphase chemical system: Identification of polymeric arsanes generated by reduction of monomethylarsenate with sodium tetrahydroborate. International Journal of Mass Spectrometry [Internet]. 2014;371:42–46. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84907300428&partnerID=40&md5=c5486bdf5c52505a097d99cacc05cc11
Legnaioli S, Lorenzetti G, Pardini L, Cavalcanti GH, Palleschi V. Applications of LIBS to the analysis of metals. Springer Series in Optical Sciences [Internet]. 2014;182:169–193. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84899684815&partnerID=40&md5=cdc54a8870d2eebc92f9f0992c5b137e
D'Andrea E, Pagnotta S, Grifoni E, Lorenzetti G, Legnaioli S, Palleschi V, Lazzerini B. An artificial neural network approach to laser-induced breakdown spectroscopy quantitative analysis. Spectrochimica Acta - Part B Atomic Spectroscopy [Internet]. 2014;99:52–58. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84904355162&partnerID=40&md5=1d2f04d951ee707b402917e2ea79119a
Crasto D, Barcaro G, Stener M, Sementa L, Fortunelli A, Dass A. 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
Lezzerini M, Legnaioli S, Lorenzetti G, Palleschi V, Tamponi M. Characterization of historical mortars from the bell tower of St. Nicholas church (Pisa, Italy). Construction and Building Materials [Internet]. 2014;69:203–212. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84906079453&partnerID=40&md5=678a673ac00079130f1e53c9cc59fe30
Di Donato M, Segado Centellas M, Lapini A, Lima M, Avila F, Santoro F, Cappelli C, Righini R. Combination of transient 2D-IR experiments and ab initio computations sheds light on the formation of the charge-transfer state in photoexcited carbonyl carotenoids.; 2014 p. 9613–30. Available from: http://www.ncbi.nlm.nih.gov/pubmed/25050938 Abstract
Asgari M, Negreiros FR, Sementa L, Barcaro G, Behnejad H, Fortunelli A. Communication: Striking dependence of diffusion kinetics in Ag-Cu nanoalloys upon composition and quantum effects. Journal of Chemical Physics [Internet]. 2014;141. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84905638844&partnerID=40&md5=6e3bcdb0e2e7d277ba71d3a10958b3e1 Abstract
Asgari M, Behnejad H, Fortunelli A. Composition-dependent melting behaviour of NaxK55-x core-shell nanoalloys. Molecular Physics [Internet]. 2014. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84902703318&partnerID=40&md5=86791c7edbff9a86ed9a0c80e8dd1b8f Abstract
Monti S, Carravetta V, Li C, A gren H. A computational study of the adsorption and reactive dynamics of diglycine on Cu(110). Journal of Physical Chemistry C [Internet]. 2014;118:3610–3619. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84894526969&partnerID=40&md5=b356531886e1ebcbe945c9786960a61c Abstract
Negreiros FR, Barcaro G, Sementa L, Fortunelli A. Concepts in theoretical heterogeneous ultrananocatalysis. Comptes Rendus Chimie [Internet]. 2014;17:625–633. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84903781702&partnerID=40&md5=05cd0c4d5c866dd92f83c0afeebd0bc0 Abstract
Villani G. Coupling between hydrogen atoms transfer and stacking interaction in adenine-thymine/guanine-cytosine complexes: A theoretical study. Journal of Physical Chemistry B [Internet]. 2014;118:5439–5452. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84901351140&partnerID=40&md5=ddba42f72519f20a08f02a1fb47c5007 Abstract
Li C, Monti S, A gren H, Carravetta V. Cysteine on TiO2(110): A theoretical study by reactive dynamics and photoemission spectra simulation. Langmuir [Internet]. 2014;30:8819–8828. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84905015438&partnerID=40&md5=9e1ce5211dc229febe54673c6b9abb7d Abstract
Campanella B, Bramanti E. Detection of proteins by hyphenated techniques with endogenous metal tags and metal chemical labelling. Analyst [Internet]. 2014;139:4124–4153. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84905055549&partnerID=40&md5=6450a964481ce2846d9829af0cded88b
Pellegrini D, Onor M, Degano I, Bramanti E. Development and validation of a novel derivatization method for the determination of lactate in urine and saliva by liquid chromatography with UV and fluorescence detection. Talanta [Internet]. 2014;130:280–287. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84905042841&partnerID=40&md5=f65dd3454418720de639c3a99accf2ab Abstract
Campanella B, Onor M, Ferrari C, D'Ulivo A, Bramanti E. Direct, simple derivatization of disulfide bonds in proteins with organic mercury in alkaline medium without any chemical pre-reducing agents. Analytica Chimica Acta [Internet]. 2014. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84904275989&partnerID=40&md5=a81c5ce1e31ded6d5b5a30aaafd87693
Fornaro T, Biczysko M, Monti S, Barone V. Dispersion corrected DFT approaches for anharmonic vibrational frequency calculations: Nucleobases and their dimers. Physical Chemistry Chemical Physics [Internet]. 2014;16:10112–10128. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84899882169&partnerID=40&md5=24b97b5520310f654af75e950e2b8f9b Abstract

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