Publications since 2005 of people currently working at ICCOM Pisa

Found 643 results

Sort by: Author Title Type [ Year

]

2013

Legnaioli S, Grifoni E, Lorenzetti G, Marras L, Pardini L, Palleschi V, Salerno E, Tonazzini A. Enhancement of hidden patterns in paintings using statistical analysis. Journal of Cultural Heritage [Internet]. 2013;14:S66–S70. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84878253003&partnerID=40&md5=4e739eade733145fe01ec174bce902fa

Monti S, Corozzi A, Fristrup P, Joshi KL, Shin YK, Oelschlaeger P, Van Duin ACT, Barone V. 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

Lin N, Solheim H, Zhao X, Santoro F, Ruud K. First Principles Studies of the Vibrationally Resolved Magnetic Circular Dichroism Spectra of Biphenylene.; 2013 p. 1557–1567. Available from: http://pubs.acs.org/doi/abs/10.1021/ct301101h

Corti A, Bergamini G, Menegazzi M, Piaggi S, Bramanti E, Scataglini I, Cianchetti S, Paggiaro P, Melotti P, Pompella A. $\gamma$-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

Baiardi A, Bloino J, Barone V. General time dependent approach to vibronic spectroscopy including franck-condon, herzberg-teller, and duschinsky effects. Journal of Chemical Theory and Computation [Internet]. 2013;9:4097–4115. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84884184152&partnerID=40&md5=75923d932bf315d52fa61ada7dc6f2c2

Borbón-González DJ, Fortunelli A, Barcaro G, Sementa L, Johnston RL, Posada-Amarillas A. Global minimum Pt13M20 (M = Ag, Au, Cu, Pd) dodecahedral core-shell clusters. Journal of Physical Chemistry A [Internet]. 2013;117:14261–14266. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84891455085&partnerID=40&md5=8040b335efedd69bf63d019833b79e16 Abstract

Barone V, Biczysko M, Bloino J, Puzzarini C. Glycine conformers: a never-ending story?. Physical Chemistry Chemical Physics. 2013;15:1358\{$\backslash$textendash\}1363.

Cerezo J, Zúñiga J, Requena A, Ferrer FJA, Santoro F. Harmonic models in cartesian and internal coordinates to simulate the absorption spectra of carotenoids at finite temperatures.; 2013 p. 3586–3587. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84887830800&partnerID=40&md5=c340f88849ed343ff9f12ad0fb67cec2 http://www.scopus.com/inward/record.url?eid=2-s2.0-84906228550&partnerID=40&md5=0fe7efb6df9332c21b43bdc4f9a90885

Niskanen J, Arul Murugan N, Rinkevicius Z, Vahtras O, Li C, Monti S, Carravetta V, A gren H. 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

Aguirre NF, Villarreal P, Delgado-Barrio G, Posada E, Reyes A, Biczysko M, Mitrushchenkov AO, de Lara-Castells M{\'ıa P. Including nuclear quantum effects into highly correlated electronic structure calculations of weakly bound systems. The Journal of chemical physics. 2013;138:184113.

Barcaro G, Sementa L, Negreiros FR, Fortunelli A. Influence of temperature and H2 adsorption on the structure of silica-supported gold subnanometer clusters. COMPUTATIONAL AND THEORETICAL CHEMISTRY. 2013;1021:222–228.

Avila F, Cerezo J, Stendardo E, Improta R, Santoro F. Insights for an Accurate Comparison of Computational Data to Experimental Absorption and Emission Spectra : Beyond the Vertical Transition Approximation.; 2013 p. 2072–2082.

Charmet AP, Stoppa P, Tasinato N, Giorgianni S, Barone V, Biczysko M, Bloino J, Cappelli C, Carnimeo I, Puzzarini C. An integrated experimental and quantum-chemical investigation on the vibrational spectra of chlorofluoromethane. Journal of Chemical Physics [Internet]. 2013;139. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84903362215&partnerID=40&md5=42c45e6fb7a9b4cbd6dec9bb9f2551be

Monti S, Bramanti E, Porta VD, Onor M, D'Ulivo A, Barone V. 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

Pescitelli G, Padula D, Santoro F. Intermolecular exciton coupling and vibronic effects in solid-state circular dichroism: a case study.; 2013 p. 795–802. Available from: http://www.ncbi.nlm.nih.gov/pubmed/23203006 Abstract

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

Obermüller T, Steurer W, Surnev S, Barcaro G, Sementa L, Stroppa A, Fortunelli A, Netzer FP. Kinetic asymmetry in the growth of two-dimensional Mn oxide nanostripes. Physical Review B - Condensed Matter and Materials Physics [Internet]. 2013;88. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84890605467&partnerID=40&md5=8268c140b02c0f20d4d611ad392ffb93 Abstract

Campanella B, Rivera JG, Ferrari C, Biagi S, Onor M, D'Ulivo A, Bramanti E. Microwave photochemical reactor for the online oxidative decomposition of p-hydroxymercurybenzoate (p HMB)-tagged proteins and their determination by cold vapor generation-atomic fluorescence detection. Analytical Chemistry [Internet]. 2013;85:12152–12157. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84890485879&partnerID=40&md5=254fa57f2719077b6a53ae39e203d9a3

Atanasov I, Barcaro G, Negreiros FR, Fortunelli A, Johnston RL. Modelling the metal-on-top effect for Pd clusters on the MgO\{100\} substrate. JOURNAL OF CHEMICAL PHYSICS. 2013;138:224703.

Ghimenti S, Tabucchi S, Lomonaco T, Di Francesco F, Fuoco R, Onor M, Lenzi S, Trivella MG. Monitoring breath during oral glucose tolerance tests. Journal of Breath Research [Internet]. 2013;7. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84874827736&partnerID=40&md5=0225003710ec124f5fb123e319f64e7a

Legnaioli S, Garcia FA, Andreotti A, Bramanti E, Pace DD, Formola S, Lorenzetti G, Martini M, Pardini L, Ribechini E, et al. Multi-technique study of a ceramic archaeological artifact and its content. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy [Internet]. 2013;100:144–148. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84869488053&partnerID=40&md5=fcc0c99875b364ddd27fe9a6f1ee8e52

Wagner M, Negreiros FR, Sementa L, Barcaro G, Surnev S, Fortunelli A, Netzer FP. Nanostripe Pattern of NaCl Layers on Cu(110). PHYSICAL REVIEW LETTERS. 2013;110:216101.

Pagliano E, Meija J, Ding J, Sturgeon RE, D'Ulivo A, Mester Z. Novel ethyl-derivatization approach for the determination of fluoride by headspace gas chromatography/mass spectrometry. Analytical Chemistry [Internet]. 2013;85:877–881. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84872528007&partnerID=40&md5=7eb65d094423973181272530d2cdef03

Cavalcanti GH, Teixeira DV, Legnaioli S, Lorenzetti G, Pardini L, Palleschi V. One-point calibration for calibration-free laser-induced breakdown spectroscopy quantitative analysis. Spectrochimica Acta - Part B Atomic Spectroscopy [Internet]. 2013;87:51–56. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84883135610&partnerID=40&md5=4804acb44f142e0e6c7788e10708f270

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