Publications since 2005 of people currently working at ICCOM Pisa

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Agnoli S, Barcaro G, Barolo A, Fortunelli A, Sambi M, Sedona F, Di Marino M, Skala T, Granozzi G. Interplay between Layer-Resolved Chemical Composition and Electronic Structure in a Sn/Pt(110) Surface Alloy. JOURNAL OF PHYSICAL CHEMISTRY C. 2011;115:14264–14269.

Aguirre MA, Legnaioli S, Almodóvar F, Hidalgo M, Palleschi V, Canals A. Elemental analysis by surface-enhanced Laser-Induced Breakdown Spectroscopy combined with liquid-liquid microextraction. Spectrochimica Acta - Part B Atomic Spectroscopy [Internet]. 2013;79-80:88–93. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84873316686&partnerID=40&md5=f30eae6318bbd90bf1c4819297af901e

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.

Alagona G, Ghio C, Monti S. A test case for time-dependent density functional theory calculations of electronic circular dichroism: 2-chloro-4-methoxy-6- [(R)-1-phenylethylamino]-1, 3,5- triazine. Theoretical Chemistry Accounts [Internet]. 2007;117:793–803. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-34247604047&partnerID=40&md5=1d1736e37abdb3f0ffc5be58cdf52084 Abstract

Alagona G, Ghio C, Monti S. Structure and dynamics of the hydrogen-bond network around (R,R)-pterocarpans with biological activity in aqueous solution. Journal of Physical Chemistry B [Internet]. 2005;109:16918–16925. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-25444455400&partnerID=40&md5=421c060f8a8bff03baa78eeb61cc7d32 Abstract

Amal K, Elnaby SH, Palleschi V, Salvetti A, Harith MA. Comparison between single- and double-pulse LIBS at different air pressures on silicon target. Applied Physics B: Lasers and Optics [Internet]. 2006;83:651–657. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-33744530787&partnerID=40&md5=d3efebed9caeede0efcda3da2dd0d2f8

Amaro LP, Rivas BL, Coiai S, Passaglia E, Augier S, Ciardelli F. Grafting of Polypropylene and Its Potential Use as Metal Ion Adsorption Resin. Journal of Applied Polymer Science. 2009;113:290–298. Abstract

Amovilli C, Cacelli I, Cinacchi G, Gaetani L, Prampolini G, Tani A. {Structure and dynamics of mesogens using intermolecular potentials derived from ab initio calculations}. Theor. Chem. Acc. 2007;117:885–901.

Andrade JM, Cristoforetti G, Legnaioli S, Lorenzetti G, Palleschi V, Shaltout AA. Classical univariate calibration and partial least squares for quantitative analysis of brass samples by laser-induced breakdown spectroscopy. SPECTROCHIMICA ACTA PART B-ATOMIC SPECTROSCOPY. 2010;65:658–663. Abstract

Angeli V, Biagi S, Ghimenti S, Onor M, D'Ulivo A, Bramanti E. Flow injection-chemical vapor generation atomic fluorescence spectrometry hyphenated system for organic mercury determination: A step forward. Spectrochimica Acta - Part B Atomic Spectroscopy [Internet]. 2011;66:799–804. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84855868825&partnerID=40&md5=a7cb478254d24110519adc14f45e2f1b

Angeli L, Arias C, Cristoforetti G, Fabbri C, Legnaioli S, Palleschi V, Radi G, Salvetti A, Tognoni E. Spectroscopic techniques applied to the study of Italian painted neolithic potteries. Laser Chemistry [Internet]. 2006;2006. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-53649101496&partnerID=40&md5=f0d7e5f19fb17f6718342a0191c4e694

Angeli C, Improta R, Santoro F. On the controversial nature of the 1 1Bu and 2 1Bu states of trans-stilbene: The n -electron valence state perturbation theory approach.; 2009 p. . Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-65549136359&partnerID=40&md5=66b85d071cf58ccd3fee713d4c067bd7

Angeli V, Ferrari C, Longo I, Onor M, D'Ulivo A, Bramanti E. Microwave-Assisted Photochemical Reactor for the Online Oxidative Decomposition and Determination of p-Hydroxymercurybenzoate and Its Thiolic Complexes by Cold Vapor Generation Atomic Fluorescence Detection. ANALYTICAL CHEMISTRY. 2011;83:343. Abstract

Angeli V, Chen H, Mester Z, Rao Y, D'Ulivo A, Bramanti E. Derivatization of GSSG by pHMB in alkaline media. Determination of oxidized glutathione in blood. TALANTA. 2010;82:815–820. Abstract

Aprà E, Ferrando R, Fortunelli A. Density-functional global optimization of gold nanoclusters. Physical Review B - Condensed Matter and Materials Physics. 2006;73. Abstract

Aprà E, Carter EA, Fortunelli A. Erratum: Separability between valence and conduction bands in transition metal clusters (International Journal of Quantum Chemistry (2004) 100 (277-287)). International Journal of Quantum Chemistry [Internet]. 2005;101:230. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-11844300317&partnerID=40&md5=3eae4ab196ef82ff5d43f84bd128337b

Arrigo R, Dintcheva NT, Guenzi M, Gambarotti C, Filippone G, Coiai S, Carroccio S. Thermo-oxidative resistant nanocomposites containing novel hybrid-nanoparticles based on natural polyphenol and carbon nanotubes. Polymer Degradation and Stability. 2015;115:129 - 137. 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

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

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.

Augier S, Coiai S, Pratelli D, Conzatti L, Passaglia E. New Functionalized Polypropylenes as Controlled Architecture Compatibilizers for Polypropylene Layered Silicates Nanocomposites. JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY. 2009;9:4858–4869. Abstract

Augier S, Coiai S, Passaglia E, Ciardelli F, Zulli F, Andreozzi L, Giordano M. Structure and rheology of polypropylene with various architectures prepared by coagent-assisted radical processing. POLYMER INTERNATIONAL. 2010;59:1499–1505. Abstract

Augier S, Coiai S, Gragnoli T, Passaglia E, Pradel J-L, Flat J-J. Coagent assisted polypropylene radical functionalization: monomer grafting modulation and molecular weight conservation. Polymer. 2006;47:5243–5252.

Avila F, Santoro F. Comparison of vertical and adiabatic harmonic approaches for the calculation of the vibrational structure of electronic spectra.; 2012 p. 13549–13563. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84866687363&partnerID=40&md5=757d534a11f34e7a88353b3f8045762c

Avila F, Santoro F, Improta R. The excited state behavior of cytosine in the gas phase: A TD-DFT study.; 2014 p. 186–194. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84903907131&partnerID=40&md5=d20fdc1a3f37a3d0d13e451f1f28ec40