Publications since 2005 of people currently working at ICCOM Pisa
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
.
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
.
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
.
$\gamma$-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
.
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
.
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
.
Glycine conformers: a never-ending story?. Physical Chemistry Chemical Physics. 2013;15:1358\{$\backslash$textendash\}1363.
.
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
.
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
.
Including nuclear quantum effects into highly correlated electronic structure calculations of weakly bound systems. The Journal of chemical physics. 2013;138:184113.
.
Influence of temperature and H2 adsorption on the structure of silica-supported gold subnanometer clusters. COMPUTATIONAL AND THEORETICAL CHEMISTRY. 2013;1021:222–228.
.
.
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
.
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
.
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
.
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
.
Modelling the metal-on-top effect for Pd clusters on the MgO\{100\} substrate. JOURNAL OF CHEMICAL PHYSICS. 2013;138:224703.
.
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
.
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
Nanostripe Pattern of NaCl Layers on Cu(110). PHYSICAL REVIEW LETTERS. 2013;110:216101.
.
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
.
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
.
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
.