Gavioli L, Cavaliere E, Agnoli S, Barcaro G, Fortunelli A, Granozzi G. Template-assisted assembly of transition metal nanoparticles on oxide ultrathin films. PROGRESS IN SURFACE SCIENCE. 2011;86:59–81.

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

Villani G. Theoretical investigation of DNA oligomer systems. Modification of the hydrogen atoms transfer in a base pair due to time-dependent interaction with stacked base pairs. Chemical Physics [Internet]. 2006;325:389–396. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-33744989479&partnerID=40&md5=7ff6aedac6a705401a944637ff452b2e Abstract

Villani G. 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

Villani G. 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

Villani G. Theoretical investigation of hydrogen atom transfer in the hydrated C-G base pair. Molecular Physics [Internet]. 2013;111:199–212. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84873385449&partnerID=40&md5=33e4873c700846999abf7b290453e0a5 Abstract

Villani G. Theoretical investigation of hydrogen transfer mechanism in the adenine-thymine base pair. Chemical Physics [Internet]. 2005;316:1–8. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-24344504134&partnerID=40&md5=a5173fa144b78ac4a1712749dc4821fb Abstract

Villani G. Theoretical investigation of hydrogen transfer mechanism in the guanine-cytosine base pair. Chemical Physics [Internet]. 2006;324:438–446. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-33646794373&partnerID=40&md5=7ac642ceb58f442f01fe3a5e3c0182d6 Abstract

Villani G. 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

Villani G. 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

Villani G. Theoretical investigation of the coupling between the hydrogen transfer and the base pair opening in the adenine-thymine system. Chemical Physics [Internet]. 2007;336:143–149. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-34447513702&partnerID=40&md5=7a65c6d57e992a70c907c90773ea78a5 Abstract

Villani G. Theoretical investigation of the hydrogen atom transfer in the hydrated A-T base pair. Chemical Physics [Internet]. 2012;394:9–16. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84856272918&partnerID=40&md5=412266933c5b5d4de834c069a400a8a1 Abstract

Fortunelli A, Ferrando R. Theoretical modelling of oxide-supported metal nanoclusters and nanoalloys. Frontiers of Nanoscience [Internet]. 2012;3:159–211. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84872818354&partnerID=40&md5=f699c1b1b755eeb2df7932919806a327

Barone V, Bloino J, Monti S, Pedone A, Prampolini G. Theoretical multilevel approach for studying the photophysical properties of organic dyes in solution. Physical Chemistry Chemical Physics. 2010;12:10550–10561. Abstract

Carravetta V, Monti S, Li C, A gren H. Theoretical simulations of structure and X-ray photoelectron spectra of glycine and diglycine adsorbed on Cu(110). Langmuir [Internet]. 2013;29:10194–10204. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84881559507&partnerID=40&md5=f4e457574393171382da5d43f63f8486 Abstract

Barone V, Cacelli I, Ferretti A, Visciarelli M. Theoretical study of a molecular junction with asymmetric current/voltage characteristics. Chemical Physics Letters [Internet]. 2012;549:1–5. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84866670771&partnerID=40&md5=e6571ec2c2588acefb201f37bec4ceff Abstract

Cerbelaud M, Barcaro G, Fortunelli A, Ferrando R. Theoretical study of AuCu nanoalloys adsorbed on MgO(001). SURFACE SCIENCE. 2012;606:938–944.

Cacelli I, Ferretti A, Girlanda M, Macucci M. Theoretical study of building blocks for molecular switches based on electrically induced conformational changes. Chemical Physics [Internet]. 2006;320:84–94. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-29744442309&partnerID=40&md5=f80d42d8f9481b7174c7333e186ae260 Abstract

Monti S, Cicogna F, Passaglia E, Prampolini G, Barone V. 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

Improta R, Santoro F. A theoretical study on the factors influencing cyanine photoisomerization: The case of thiacyanine in gas phase and in methanol.; 2005 p. 215–229. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-31544460013&partnerID=40&md5=0ee39d95d751fb55d2fc51553be9fe0b

Biagioni C, Bonaccorsi E, Merlino S, Bersani D, Forte C. Thermal behaviour of tobermorite from N'Chwaning II mine (Kalahari Manganese Field, Republic of South Africa) II. Crystallographic and spectroscopic study of tobermorite 10 \AA. European Journal of Mineralogy [Internet]. 2012;24:991–1004. Available from: http://openurl.ingenta.com/content/xref?genre=article&issn=0935-1221&volume=24&issue=6&spage=991 Abstract

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

Lotti L, Coiai S, Ciardelli F, Galimberti M, Passaglia E. Thiol-Ene Radical Addition of L-Cysteine Derivatives to Low Molecular Weight Polybutadiene. MACROMOLECULAR CHEMISTRY AND PHYSICS. 2009;210:1471–1483. Abstract

Lami A, Santoro F. Time-Dependent Approaches to Calculation of Steady-State Vibronic Spectra: From Fully Quantum to Classical Approaches. In: Barone V Computational Strategies for Spectroscopy. Computational Strategies for Spectroscopy. ; 2011. p. 475–516. Available from: http://dx.doi.org/10.1002/9781118008720.ch10

Cappelli C, Biczysko M. Time-independent approach to vibrational spectroscopies. Computational strategies for spectroscopy. Wiley. 2011:309\{$\backslash$textendash\}360.