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	title = {Ab initio thermal conductivity of thermoelectric Mg3Sb2: Evidence for dominant extrinsic effects},
	journal = {Physical Review B},
	volume = {98},
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@article {Filippetti2018181,
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@article {Squibb2018,
	title = {Acetylacetone photodynamics at a seeded free-electron laser},
	journal = {Nature Communications},
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@article {Squibb2018,
	title = {Acetylacetone photodynamics at a seeded free-electron laser},
	journal = {Nature Communications},
	volume = {9},
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	year = {2018},
	note = {cited By 6},
	doi = {10.1038/s41467-017-02478-0},
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@article {Mincigrucci2018132,
	title = {Advances in instrumentation for FEL-based four-wave-mixing experiments},
	journal = {Nuclear Instruments and Methods in Physics Research, Section A: Accelerators, Spectrometers, Detectors and Associated Equipment},
	volume = {907},
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@article {Mincigrucci2018,
	title = {Advances in instrumentation for FEL-based four-wave-mixing experiments},
	journal = {Nuclear Instruments and Methods in Physics Research, Section A: Accelerators, Spectrometers, Detectors and Associated Equipment},
	year = {2018},
	note = {cited By 0; Article in Press},
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	url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85045190449&doi=10.1016%2fj.nima.2018.03.051&partnerID=40&md5=7c353e39609374cc2a49184b6db5c00a},
	author = {Mincigrucci, R. and Foglia, L. and Naumenko, D. and Pedersoli, E. and Simoncig, A. and Cucini, R. and Gessini, A. and Kiskinova, M. and Kurdi, G. and Mahne, N. and Manfredda, M. and Nikolov, I.P. and Principi, E. and Raimondi, L. and Zangrando, M. and Masciovecchio, C. and Capotondi, F. and Bencivenga, F.}
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@article {Cocco2018105,
	title = {Advances in X-ray optics: From metrology characterization to wavefront sensing-based optimization of active optics},
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@article {Cocco2018,
	title = {Advances in X-ray optics: From metrology characterization to wavefront sensing-based optimization of active optics},
	journal = {Nuclear Instruments and Methods in Physics Research, Section A: Accelerators, Spectrometers, Detectors and Associated Equipment},
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@article {Passeri2018,
	title = {Advances on TCAD numerical modelling of radiation damage effects in silicon detectors for HL-LHC operations},
	journal = {Nuclear Instruments and Methods in Physics Research, Section A: Accelerators, Spectrometers, Detectors and Associated Equipment},
	year = {2018},
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@article {Casalino20186584,
	title = {All-atom simulations disentangle the functional dynamics underlying gene maturation in the intron lariat spliceosome},
	journal = {Proceedings of the National Academy of Sciences of the United States of America},
	volume = {115},
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	year = {2018},
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	pages = {6584-6589},
	doi = {10.1073/pnas.1802963115},
	url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85049014087&doi=10.1073%2fpnas.1802963115&partnerID=40&md5=f3ac288f251bf44e77ee7337f0431004},
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@article {Moscatelli2018,
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	journal = {Nuclear Instruments and Methods in Physics Research, Section A: Accelerators, Spectrometers, Detectors and Associated Equipment},
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@article {Panizon2018,
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	doi = {10.3390/app7060621},
	url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85020870294&doi=10.3390%2fapp7060621&partnerID=40&md5=c29b758ec7f1f6eb715ee75ff1c319f9},
	author = {Callegari, C. and Takanashi, T. and Fukuzawa, H. and Motomura, K. and Iablonskyi, D. and Kumagai, Y. and Mondal, S. and Tachibana, T. and Nagaya, K. and Nishiyama, T. and Matsunami, K. and Johnsson, P. and Piseri, P. and Sansone, G. and Dubrouil, A. and Reduzzi, M. and Carpeggiani, P. and Vozzi, C. and Devetta, M. and Faccialà, D. and Calegari, F. and Castrovilli, M.C. and Coreno, M. and Alagia, M. and Schütte, B. and Berrah, N. and Plekan, O. and Finetti, P. and Ferrari, E. and Prince, K.C. and Ueda, K.}
}
@article {Bianco2017314,
	title = {An aptamer-based SPR-polarization platform for high sensitive OTA detection},
	journal = {Sensors and Actuators, B: Chemical},
	volume = {241},
	year = {2017},
	note = {cited By 7},
	pages = {314-320},
	doi = {10.1016/j.snb.2016.10.056},
	url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-84992092152&doi=10.1016%2fj.snb.2016.10.056&partnerID=40&md5=4caf5902da88e65f5ad9466b491d2113},
	author = {Bianco, M. and Sonato, A. and De Girolamo, A. and Pascale, M. and Romanato, F. and Rinaldi, R. and Arima, V.}
}
@article {Carlino2017,
	title = {Atomic resolution studies detect new biologic evidences on the Turin Shroud},
	journal = {PLoS ONE},
	volume = {12},
	number = {6},
	year = {2017},
	note = {cited By 0},
	doi = {10.1371/journal.pone.0180487},
	url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85021652106&doi=10.1371%2fjournal.pone.0180487&partnerID=40&md5=7a6be15f60f5227469ed49de111eab95},
	author = {Carlino, E. and De Caro, L. and Giannini, C. and Fanti, G.}
}
@article {Nisoli201710760,
	title = {Attosecond Electron Dynamics in Molecules},
	journal = {Chemical Reviews},
	volume = {117},
	number = {16},
	year = {2017},
	note = {cited By 4},
	pages = {10760-10825},
	doi = {10.1021/acs.chemrev.6b00453},
	url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85027367139&doi=10.1021%2facs.chemrev.6b00453&partnerID=40&md5=159257a6832cd16d338245d8f59f49f7},
	author = {Nisoli, M. and Decleva, P. and Calegari, F. and Palacios, A. and Martin, F.}
}
@article {Eren2016475,
	title = {Activation of Cu(111) surface by decomposition into nanoclusters driven by CO adsorption},
	journal = {Science},
	volume = {351},
	number = {6272},
	year = {2016},
	note = {cited By 6},
	pages = {475-478},
	doi = {10.1126/science.aad8868},
	url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-84956629237&partnerID=40&md5=4bef99d46bd2ccad65482c314a2e6d76},
	author = {Eren, B. and Zherebetskyy, D. and Patera, L.L. and Wu, C.H. and Bluhm, H. and Africh, C. and Wang, L.-W. and Somorjai, G.A. and Salmeron, M.}
}
@article {Stavrinadis20165384,
	title = {Aliovalent Doping in Colloidal Quantum Dots and Its Manifestation on Their Optical Properties: Surface Attachment versus Structural Incorporation},
	journal = {Chemistry of Materials},
	volume = {28},
	number = {15},
	year = {2016},
	note = {cited By 0},
	pages = {5384-5393},
	doi = {10.1021/acs.chemmater.6b01445},
	url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-84981295003&partnerID=40&md5=73425a88d049bce1c687a4c474ec2231},
	author = {Stavrinadis, A. and Pelli Cresi, J.S. and D'Acapito, F. and Magén, C. and Boscherini, F. and Konstantatos, G.}
}
@article {Taglieri201625,
	title = {Analysis of the carbonatation process of nanosized Ca(OH)2 particles synthesized by exchange ion process},
	journal = {Proceedings of the Institution of Mechanical Engineers, Part N: Journal of Nanoengineering and Nanosystems},
	volume = {230},
	number = {1},
	year = {2016},
	note = {cited By 0},
	pages = {25-31},
	doi = {10.1177/1740349914537616},
	url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-84961736547&partnerID=40&md5=5893364c1ea8866f0fb211139123de64},
	author = {Taglieri, G. and Felice, B. and Daniele, V. and Volpe, R. and Mondelli, C.}
}
@article {Mazza20161,
	title = {Angular distribution and circular dichroism in the two-colour XUV+NIR above-threshold ionization of helium},
	journal = {Journal of Modern Optics},
	year = {2016},
	note = {cited By 0; Article in Press},
	pages = {1-16},
	doi = {10.1080/09500340.2015.1119897},
	url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-84961285903&partnerID=40&md5=555808e4fef297c981bf1e2474a15578},
	author = {Mazza, T. and Ilchen, M. and Rafipoor, A.J. and Callegari, C. and Finetti, P. and Plekan, O. and Prince, K.C. and Richter, R. and Demidovich, A. and Grazioli, C. and Avaldi, L. and Bolognesi, P. and Coreno, M. and O’Keeffe, P. and Di Fraia, M. and Devetta, M. and Ovcharenko, Y. and Lyamayev, V. and Düsterer, S. and Ueda, K. and Costello, J.T. and Gryzlova, E.V. and Strakhova, S.I. and Grum-Grzhimailo, A.N. and Bozhevolnov, A.V. and Kazansky, A.K. and Kabachnik, N.M. and Meyer, M.}
}
@article {Comez20168881,
	title = {Aqueous solvation of amphiphilic molecules by extended depolarized light scattering: The case of trimethylamine-N-oxide},
	journal = {Physical Chemistry Chemical Physics},
	volume = {18},
	number = {13},
	year = {2016},
	note = {cited By 0},
	pages = {8881-8889},
	doi = {10.1039/c5cp04357c},
	url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-84961999134&partnerID=40&md5=21821ba1b6a1a922a005b64d2c38ae88},
	author = {Comez, L. and Paolantoni, M. and Corezzi, S. and Lupi, L. and Sassi, P. and Morresi, A. and Fioretto, D.}
}
@article {Tocchio2016,
	title = {Assessing the orbital selective Mott transition with variational wave functions},
	journal = {Journal of Physics Condensed Matter},
	volume = {28},
	number = {10},
	year = {2016},
	note = {cited By 1},
	doi = {10.1088/0953-8984/28/10/105602},
	url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-84960371427&partnerID=40&md5=40554c135fa9dab6bd19fd4e29f7e8ef},
	author = {Tocchio, L.F. and Arrigoni, F. and Sorella, S. and Becca, F.}
}
@article {Zen2015,
	title = {Ab initio molecular dynamics simulation of liquid water by quantum Monte Carlo},
	journal = {Journal of Chemical Physics},
	volume = {142},
	number = {14},
	year = {2015},
	note = {cited By 2},
	doi = {10.1063/1.4917171},
	url = {http://www.scopus.com/inward/record.url?eid=2-s2.0-84928481663&partnerID=40&md5=c77088f10a46f280cf8ca5d72a933acd},
	author = {Zen, A. and Luo, Y. and Mazzola, G. and Guidoni, L. and Sorella, S.}
}
@conference {Raimondi2015289,
	title = {Active optics systems at FERMI free electron laser},
	booktitle = {Adaptive Optics: Analysis, Methods and Systems, AO 2015},
	year = {2015},
	note = {cited By 0},
	pages = {289},
	doi = {10.1364/AOMS.2015.AOM4B.1},
	url = {http://www.scopus.com/inward/record.url?eid=2-s2.0-84935098454&partnerID=40&md5=b1c74afaf80737749407683eae16ed76},
	author = {Raimondi, L. and Svetina, C. and Mahne, N. and Cocco, D. and Capotondi, F. and Pedersoli, E. and Manfredda, M. and Kiskinova, M. and Zangrando, M.}
}
@article {Tsud2015a,
	title = {Adenine adlayers on Cu(111): XPS and NEXAFS study},
	journal = {Journal of Chemical Physics},
	volume = {143},
	number = {17},
	year = {2015},
	note = {cited By 0},
	doi = {10.1063/1.4935055},
	url = {http://www.scopus.com/inward/record.url?eid=2-s2.0-84946780667&partnerID=40&md5=001d99ed5bfd37c05abeeefee2c521c7},
	author = {Tsud, N. and Bercha, S. and Ševčíková, K. and Acres, R.G. and Prince, K.C. and Matolin, V.}
}
@article {Praveen2015,
	title = {Adsorption of alkali adatoms on graphene supported by the Au/Ni(111) surface},
	journal = {Physical Review B - Condensed Matter and Materials Physics},
	volume = {92},
	number = {7},
	year = {2015},
	note = {cited By 0},
	doi = {10.1103/PhysRevB.92.075403},
	url = {http://www.scopus.com/inward/record.url?eid=2-s2.0-84940099947&partnerID=40&md5=5b8e01b2185f51047ef14adf7c3b61c0},
	author = {Praveen, C.S. and Piccinin, S. and Fabris, S.}
}
@article {Sertsu2015,
	title = {Analysis of buried interfaces in multilayer mirrors using grazing incidence extreme ultraviolet reflectometry near resonance edges},
	journal = {Appl. Opt.},
	volume = {54},
	number = {35},
	year = {2015},
	month = {Dec},
	pages = {10351–10358},
	publisher = {OSA},
	abstract = {Accurate measurements of optical properties of multilayer (ML) mirrors and chemical compositions of interdiffusion layers are particularly challenging to date. In this work, an innovative and nondestructive experimental characterization method for multilayers is discussed. The method is based on extreme ultraviolet (EUV) reflectivity measurements performed on a wide grazing incidence angular range at an energy near the absorption resonance edge of low-Z elements in the ML components. This experimental method combined with the underlying physical phenomenon of abrupt changes of optical constants near EUV resonance edges enables us to characterize optical and structural properties of multilayers with high sensitivity. A major advantage of the method is to perform detailed quantitative analysis of buried interfaces of multilayer structures in a nondestructive and nonimaging setup. Coatings of Si/Mo multilayers on a Si substrate with period d$=$16.4&\#x2009;&\#x2009;nm, number of bilayers N$=$25, and different capping structures are investigated. Stoichiometric compositions of Si-on-Mo and Mo-on-Si interface diffusion layers are derived. Effects of surface oxidation reactions and carbon contaminations on the optical constants of capping layers and the impact of neighboring atoms&\#x2019; interactions on optical responses of Si and Mo layers are discussed.},
	keywords = {Buried interfaces, extreme ultraviolet (EUV), multilayers, soft x-rays, Space optics, Synchrotron radiation, X-rays},
	doi = {10.1364/AO.54.010351},
	url = {http://ao.osa.org/abstract.cfm?URI=ao-54-35-10351},
	author = {M. G. Sertsu and M. Nardello and A. Giglia and A. J. Corso and C. Maurizio and L. Juschkin and P. Nicolosi}
}
@article {Baby20153624,
	title = {Anchoring and bending of pentacene on aluminum (001)},
	journal = {Journal of Physical Chemistry C},
	volume = {119},
	number = {7},
	year = {2015},
	note = {cited By 1},
	pages = {3624-3633},
	doi = {10.1021/jp512337y},
	url = {http://www.scopus.com/inward/record.url?eid=2-s2.0-84923327164&partnerID=40&md5=0d552f193b6052cee1f157e8edf7d18a},
	author = {Baby, A. and Fratesi, G. and Vaidya, S.R. and Patera, L.L. and Africh, C. and Floreano, L. and Brivio, G.P.}
}
@article {Gubbiotti2015a,
	title = {Angle-resolved spin wave band diagrams of square antidot lattices studied by Brillouin light scattering},
	journal = {Applied Physics Letters},
	volume = {106},
	number = {26},
	year = {2015},
	note = {cited By 1},
	doi = {10.1063/1.4923271},
	url = {http://www.scopus.com/inward/record.url?eid=2-s2.0-84945163715&partnerID=40&md5=543d30a93fd5023e424e07f54f74f993},
	author = {Gubbiotti, G. and Montoncello, F. and Tacchi, S. and Madami, M. and Carlotti, G. and Giovannini, L. and Ding, J. and Adeyeye, A.O.}
}
@article {Andolfi2015,
	title = {The application of scanning near field optical imaging to the study of human sperm morphology},
	journal = {Journal of Nanobiotechnology},
	volume = {13},
	number = {1},
	year = {2015},
	note = {cited By 0},
	doi = {10.1186/s12951-014-0061-5},
	url = {http://www.scopus.com/inward/record.url?eid=2-s2.0-84924854564&partnerID=40&md5=c9faed0320db09a34fa35fb487ed7ad0},
	author = {Andolfi, L. and Trevisan, E. and Troian, B. and Prato, S. and Boscolo, R. and Giolo, E. and Luppi, S. and Martinelli, M. and Ricci, G. and Zweyer, M.}
}
@article {Russomanno2015,
	title = {Asymptotic work statistics of periodically driven Ising chains},
	journal = {Journal of Statistical Mechanics: Theory and Experiment},
	volume = {2015},
	number = {8},
	year = {2015},
	note = {cited By 0},
	doi = {10.1088/1742-5468/2015/08/P08030},
	url = {http://www.scopus.com/inward/record.url?eid=2-s2.0-84941243880&partnerID=40&md5=fca800c632686daf2dd6df60d540c181},
	author = {Russomanno, A. and Sharma, S. and Dutta, A. and Santoro, G.E.}
}
@article {Bidermane201592,
	title = {Atomic contributions to the valence band photoelectron spectra of metal-free, iron and manganese phthalocyanines},
	journal = {Journal of Electron Spectroscopy and Related Phenomena},
	volume = {205},
	year = {2015},
	note = {cited By 0},
	pages = {92-97},
	doi = {10.1016/j.elspec.2015.09.004},
	url = {http://www.scopus.com/inward/record.url?eid=2-s2.0-84944745685&partnerID=40&md5=60c1654979bb1bd7b598cc1349b05df4},
	author = {Bidermane, I. and Brumboiu, I.E. and Totani, R. and Grazioli, C. and Shariati-Nilsson, M.N. and Herper, H.C. and Eriksson, O. and Sanyal, B. and Ressel, B. and de Simone, M. and Lozzi, L. and Brena, B. and Puglia, C.}
}
@article {Calzia201516913,
	title = {Atomistic Modeling of Morphology and Electronic Properties of Colloidal Ultrathin Bi<inf>2</inf>S<inf>3</inf> Nanowires},
	journal = {Journal of Physical Chemistry C},
	volume = {119},
	number = {29},
	year = {2015},
	note = {cited By 1},
	pages = {16913-16919},
	doi = {10.1021/acs.jpcc.5b02702},
	url = {http://www.scopus.com/inward/record.url?eid=2-s2.0-84937907793&partnerID=40&md5=b34ebcbe212c3c7871f06fb5514823c9},
	author = {Calzia, V. and Piras, R. and Ardu, A. and Musinu, A. and Saba, M. and Bongiovanni, G. and Mattoni, A.}
}
@article {Cesca201528262,
	title = {Au-Ag nanoalloy molecule-like clusters for enhanced quantum efficiency emission of Er3+ ions in silica},
	journal = {Physical Chemistry Chemical Physics},
	volume = {17},
	number = {42},
	year = {2015},
	note = {cited By 0},
	pages = {28262-28269},
	doi = {10.1039/c5cp01084e},
	url = {http://www.scopus.com/inward/record.url?eid=2-s2.0-84945276877&partnerID=40&md5=8f094879f00ee4ac7c5468e3b855bf22},
	author = {Cesca, T. and Kalinic, B. and Michieli, N. and Maurizio, C. and Trapananti, A. and Scian, C. and Battaglin, G. and Mazzoldi, P. and Mattei, G.}
}
@article {Nguyen2014a,
	title = {Ab initio self-consistent total-energy calculations within the EXX/RPA formalism},
	journal = {Physical Review B},
	volume = {90},
	number = {4},
	year = {2014},
	month = {jul},
	pages = {045138},
	doi = {10.1103/PhysRevB.90.045138},
	author = {Ngoc Linh Nguyen and Colonna, Nicola and de Gironcoli, Stefano}
}
@article {Nyawere2014,
	title = {Ab-initio calculation of formation and migration energies of intrinsic defects in BaF2},
	journal = {Solid State Communications},
	volume = {179},
	year = {2014},
	month = {feb},
	pages = {25–28},
	doi = {10.1016/j.ssc.2013.11.017},
	author = {Nyawere, P. W. O. and Scandolo, S. and Makau, N. W. and Amolo, G. O.}
}
@article {Jones2014,
	title = {Adsorbate induced vacancy formation on silver surfaces},
	journal = {Physical Chemistry Chemical Physics},
	volume = {16},
	number = {19},
	year = {2014},
	pages = {9002–9014},
	doi = {10.1039/c4cp00778f},
	author = {Jones, Travis E. and Rocha, Tulio C. R. and Knop-Gericke, Axel and Stampfl, Catherine and Schloegl, Robert and Piccinin, Simone}
}
@article {Braun2014,
	title = {Aftershocks in a frictional earthquake model},
	journal = {Physical review. E, Statistical, nonlinear, and soft matter physics (Print)},
	volume = {90},
	year = {2014},
	publisher = {Published by the American Physical Society through the American Institute of Physics,},
	address = {Melville, NY},
	abstract = {Inspired by spring-block models, we elaborate a \"minimal\" physical model of earthquakes which reproduces two main empirical seismological laws, the Gutenberg-Richter law and the Omori aftershock law. Our point is to demonstrate that the simultaneous incorporation of aging of contacts in the sliding interface and of elasticity of the sliding plates constitutes the minimal ingredients to account for both laws within the same frictional model.},
	issn = {1539-3755},
	doi = {10.1103/PhysRevE.90.032403},
	author = {Braun, O. M. and Tosatti, Erio}
}
@article {Verdi2014,
	title = {Alignment of energy levels in dye/semiconductor interfaces by GW calculations: Effects due to coadsorption of solvent molecules},
	journal = {Physical review. B, Condensed matter and materials physics (Online)},
	volume = {90},
	year = {2014},
	publisher = {American Physical Society,},
	address = {College Park, Md.},
	abstract = {The performance of dye-sensitized solar cells is tightly linked to the relative energy level alignment of its constituents. In this paper the electronic properties of a model of dye-sensitized solar cell are studied by accurate first-principle calculations taking into account many-body effects beyond density-functional theory. The cell model includes one layer of co-adsorbed solvent (water or acetonitrile) molecules. Solvent molecules induce an upwards energy shift in the TiO2 bands; such a shift is larger in the case of acetonitrile. The accurate determination of the energy levels allows the theoretical estimation of the maximum attainable open circuit voltage (Voc).},
	issn = {1550-235X},
	doi = {10.1103/PhysRevB.90.155410},
	url = {http://www.scopus.com/inward/record.url?eid=2-s2.0-84908032284&partnerID=q2rCbXpz},
	author = {Verdi, C. and Mosconi , E. and De Angelis, F. and Marsili, M. and Umari, P.}
}
@article {Medas2014,
	title = {The amorphous Zn biomineralization at Naracauli stream, Sardinia: electron microscopy and X-ray absorption spectroscopy},
	journal = {Environmental Science and Pollution Research},
	volume = {21},
	number = {11},
	year = {2014},
	month = {jun},
	pages = {6775–6782},
	doi = {10.1007/s11356-013-1886-4},
	author = {Medas, D. and Lattanzi, P. and Podda, F. and Meneghini, C. and Trapananti, A. and Sprocati, A. and Casu, M. A. and Musu, E. and De Giudici, G.}
}
@article {Chen2014,
	title = {Antenna-coupled microcavities for enhanced infrared photo-detection},
	journal = {Applied Physics Letters},
	volume = {104},
	number = {3},
	year = {2014},
	month = {jan},
	pages = {031113},
	doi = {10.1063/1.4862750},
	author = {Chen, Yuk Nga and Todorov, Yanko and Askenazi, Benjamin and Vasanelli, Angela and Biasiol, Giorgio and Colombelli, Raffaele and Sirtori, Carlo}
}
@article {Sanchez-Sanchez2014,
	title = {Antiphase Boundaries Accumulation Forming a New C-60 Decoupled Crystallographic Phase on the Rutile TiO2(110)-(1 x 1) Surface},
	journal = {Journal of physical chemistry. C},
	volume = {118},
	year = {2014},
	pages = {27318–27324},
	publisher = {American Chemical Society,},
	address = {Washington DC},
	abstract = {C-60 on the rutile TiO2(110)-(1 x 1) surface is known to present a well-ordered p(5 x 2) surface phase. We have identified another crystallographic phase on this surface characterized by a large unit cell containing four C-60 molecules. This phase, which exhibits four inequivalent C-60 adsorption sites with just two different molecular orientations, is herein explained in terms of an accumulation of the so-called antiphase boundaries. Among the a priori ten possible antiphase boundary domains, only three of them can result in possible long-range structures attending to geometrical and energetic considerations. In order to fully characterize the structure and energetics of this new C-60/TiO2(110)-(1 x 1) phase, an adequate combination of STM and accurate density functional theory based calculations, including an efficient self-consistent implementation of the vdW interaction, has been used. Results suggest that this new phase is the most stable among all the possible antiphase boundary domains. On the other hand, this work rationalizes and enforces the idea of the prevalence of the intermolecular vdW over the moleculesubstrate interactions in this particular organicinorganic interface, which sets TiO2 as an ideal substrate for decoupled systems.},
	issn = {1932-7447},
	doi = {10.1021/jp5070962},
	author = {Sanchez-Sanchez, Carlos and Martinez, Jose I. and Lanzilotto, Valeria and Mendez, Javier and Martin-Gago, Jose A. and Lopez, Maria F.}
}
@conference {Krizmancic2014,
	title = {APE beamline @ Sincrotrone Elettra, Trieste (Italy)},
	year = {2014},
	abstract = {APE @ Sincrotrone Elettra (TRIESTE-ITALY) is a facility for experiments on solid surfaces and nanostructured matter. APE has 2 photon beamlines ÄPE - Low Energy\" (h?=10 - 100eV) and ÄPE - High Energy\" (h?=140-1500eV). Both feature Labview-based data acquisition software providing interlacements to third party software and facility services. ÄPE-Low energy\" holds a high resolution electron analyzer \"SCIENTAëquipped for spin measurements. Labview is used to perform angle resolved measurements by programmatically talking to the proprietary software SES (via documented libraries), to a Labview based TCP/IP server for monochromator movements and to a manipulator based on Mclennan Simstep drives. ÄPE-High energy\" is a station for soft-X-ray absorption and magnetic dichroism, X-ray photoelectron spectroscopy and spin polarization mapping. Labview data acquisition relies on communication GPIB electrometers, on analyzerś proprietary software Omicron-EIS (via ActiveX) and a manipulator interface as above. An effort has been made for fast streamed monochromator measurements. These relies on RTSI - interconnected PCI - 6602 and PCI - 6123 National Instruments boards. Spin measurements relies on Labview controlled fast electronic from \"Sincrotrone Elettra\". Communication to Elettra Beamline Control systems (BCS and Tango) occurs via standard TCP and Labview TANGO binding. For a detailed description, please see: Rev. Sci. Instrum. 80, 043105 (2009); doi:10.1063/1.3119364.},
	keywords = {beamline, control system, data acquisition, GPIB, LabVIEW, monochromator, RS232, software},
	author = {Damjan Krizmancic}
}
@article {Birarda2014,
	title = {Apoptotic pathways of U937 leukemic monocytes investigated by infrared microspectroscopy and flow cytometry},
	journal = {Analyst},
	volume = {139},
	number = {12},
	year = {2014},
	pages = {3097–3106},
	doi = {10.1039/c4an00317a},
	author = {Birarda, Giovanni and Bedolla, Diana E. and Mitri, Elisa and Pacor, Sabrina and Grenci, Gianluca and Vaccari, Lisa}
}
@article {Xian2014,
	title = {Approximate treatment of semicore states in GW calculations with application to Au clusters},
	journal = {Journal of Chemical Physics},
	volume = {140},
	number = {12},
	year = {2014},
	month = {mar},
	pages = {124101},
	doi = {10.1063/1.4868439},
	author = {Xian, Jiawei and Baroni, Stefano and Umari, P.}
}
@article {Bianchini2014,
	title = {Atomic Scale Identification of Coexisting Graphene Structures on Ni(111)},
	journal = {Journal of Physical Chemistry Letters},
	volume = {5},
	number = {3},
	year = {2014},
	month = {feb},
	pages = {467–473},
	doi = {10.1021/jz402609d},
	author = {Bianchini, Federico and Patera, Laerte L. and Peressi, Maria and Africh, Cristina and Comelli, Giovanni}
}
@article {Caddeo2014,
	title = {Atomistic Simulations of P(NDI2OD-T2) Morphologies: From Single Chain to Condensed Phases},
	journal = {The journal of physical chemistry. B},
	volume = {118},
	year = {2014},
	pages = {12556–12565},
	publisher = {American Chemical Society,},
	address = {Washington, D.C.},
	abstract = {We investigate theoretically the structure, crystallinity, and solubility of a high-mobility n-type semiconducting copolymer, P(NDI2OD-T2), and we propose a set of new force field parameters. The force field is reparametrized against density functional theory (DFT) calculations, with the aim to reproduce the correct torsional angles that govern the polymer chain flexibility and morphology. We simulate P(NDI2OD-T2) oligomers in different environments, namely, in vacuo, in the bulk phase, and in liquid toluene and chloronaphthalene solution. The choice of these solvents is motivated by the fact that they induce different kinds of molecular preaggregates during the casting procedures, resulting in variable device performances. Our results are in good agreement with the available experimental data; the polymer bulk structure, in which the chains are quite planar, is correcly reproduced, yet the isolated chains are flexible enough to fold in vacuo. We also calculate the solubility of P(NDI2OD-T2) in toluene and chloronaphthalene, predicting a much better solubility of the polymer in the latter, also in accordance to experimental observations. Different morphologies and dynamics of the oligomers in the two solvents have been observed. The proposed parameters make it possible to obtain the description of P(NDI2OD-T2) in different environments and can serve as a basis for extensive studies of this polymer semiconductor, such as, for example, the dynamics of aggregation in solvent.},
	issn = {1520-6106},
	doi = {10.1021/jp5085789},
	author = {Caddeo, Claudia and Fazzi, Daniele and Caironi, Mario and Mattoni, Alessandro}
}
@article {Malloci2014,
	title = {Atomistic simulations of thiol-terminated modifiers for hybrid photovoltaic interfaces},
	journal = {Thin solid films (Print)},
	volume = {560},
	year = {2014},
	pages = {34–38},
	publisher = {Elsevier Sequoia},
	address = {Lausanne},
	abstract = {Small aromatic molecules such as benzene or pyridine derivatives are often used as interface modifiers (IMs) at polymer/metal oxide hybrid interfaces. We performed a theoretical investigation on prototypical thiolterminated IMs aimed at improving the photovoltaic performances of poly(3-hexylthiophene)/TiO2 devices. By means of first-principles calculations in the framework of the density functional theory we investigate 3furanthiol (3FT), 4-mercaptobenzoicacid (4MB), and 6-isoquinolinethiol (6QT) molecules. We discuss the role of these molecules as modifiers alternative to 4-mercaptopyridine (4MP) which has recently shown to induce a large improvement in the overall power conversion efficiency of mesoporous films of TiO2 infiltrated by poly(3-hexylthiophene). The IMs investigated are expected to keep the beneficial features of 4MP giving at the same time the possibility to further tune the interlayer properties (e.g., its thickness, stability, and density). Dense interlayers of 6QT turn out to be slightly unstable since the titania substrate induces a compressive strain in the molecular film. On the contrary, we predict very stable films for both 3FT and4MB molecules, which makes them interesting candidates for future experimental investigations. (C) 2013 Elsevier B.V. All rights reserved.},
	keywords = {Density functional theory calculations, Hybrid polymer/TiO2 solar cells, Interface modifiers, Pyridine derivatives, SELF-ASSEMBLED MONOLAYERS, Thiol groups, Ti-N (Ti-O) anchoring},
	issn = {0040-6090},
	doi = {10.1016/j.tsf.2013.09.043},
	author = {Malloci, G. and Petrozza, A. and Mattoni, A.}
}
@article {Vargiu2014,
	title = {Atomistic-Level Portrayal of Drug–DNA Interplay: A History of Courtships and Meetings Revealed by Molecular Simulations},
	journal = {ChemMedChem},
	volume = {9},
	number = {9},
	year = {2014},
	pages = {1966–1981},
	publisher = {WILEY-VCH Verlag},
	doi = {10.1002/cmdc.201402203},
	author = {Vargiu, Attilio V and Magistrato, Alessandra}
}
@article {DalCorso2013,
	title = {Ab initio phonon dispersions of transition and noble metals: effects of the exchange and correlation functional},
	journal = {Journal of Physics-condensed Matter},
	volume = {25},
	number = {14},
	year = {2013},
	month = {apr},
	pages = {145401},
	doi = {10.1088/0953-8984/25/14/145401},
	author = {Dal Corso, Andrea}
}
@article {Bernardini2013,
	title = {Ab initio strategy for muon site assignment in wide band gap fluorides},
	journal = {Physical Review B},
	volume = {87},
	number = {11},
	year = {2013},
	month = {mar},
	pages = {115148},
	doi = {10.1103/PhysRevB.87.115148},
	author = {Bernardini, F. and Bonfa, P. and Massidda, S. and De Renzi, R.}
}
@article {Peressi2013a,
	title = {Ab initio Studies of Structural and Electronic Properties},
	journal = {Characterization of Semiconductor Heterostructures and Nanostructures, 2nd Edition},
	year = {2013},
	pages = {21–73},
	doi = {10.1016/B978-0-444-59551-5.00002-9},
	author = {Peressi, Maria and Baldereschi, Alfonso}
}
@article {Toffoli2013b,
	title = {Actuation of silicon pillar micro-mechanical resonators by Kelvin polarization force},
	journal = {Microelectronic Engineering},
	volume = {111},
	year = {2013},
	month = {nov},
	pages = {1–6},
	doi = {10.1016/j.mee.2013.05.013},
	author = {Toffoli, Valeria and Dandash, Fadlallah and Pozzato, Alessandro and Borin, Daniele and Carrato, Sergio and Lazzarino, Marco}
}
@article {Morozov2013,
	title = {Adaptive algorithms of position and energy reconstruction in Anger-camera type detectors: experimental data processing in ANTS},
	journal = {Journal of Instrumentation},
	volume = {8},
	year = {2013},
	month = {may},
	pages = {P05002},
	doi = {10.1088/1748-0221/8/05/P05002},
	author = {Morozov, A. and Defendi, I. and Engels, R. and Fraga, F. A. F. and Fraga, M. M. F. R. and Gongadze, A. and Guerard, B. and Jurkovic, M. and Kemmerling, G. and Manzin, G. and Margato, L. M. S. and Niko, H. and Pereira, L. and Petrillo, C. and Peyaud, A. and Piscitelli, F. and Raspino, D. and Rhodes, N. J. and Sacchetti, F. and Schooneveld, E. M. and Solovov, V. and Van Esch, P. and Zeitelhack, K.}
}
@article {Lykhach2013,
	title = {Adsorption and Decomposition of Formic Acid on Model Ceria and Pt/Ceria Catalysts},
	journal = {Journal of Physical Chemistry C},
	volume = {117},
	number = {24},
	year = {2013},
	month = {jun},
	pages = {12483–12494},
	doi = {10.1021/jp311008v},
	author = {Lykhach, Yaroslava and Happel, Markus and Johanek, Viktor and Skala, Tomas and Kollhoff, Fabian and Tsud, Nataliya and Dvorak, Filip and Prince, Kevin C. and Matolin, Vladimir and Libuda, Joerg}
}
@article {Iakhnenko2013,
	title = {Adsorption of Cytosine and AZA Derivatives of Cytidine on Au Single Crystal Surfaces},
	journal = {Journal of Physical Chemistry C},
	volume = {117},
	number = {36},
	year = {2013},
	month = {sep},
	pages = {18423–18433},
	doi = {10.1021/jp404821t},
	author = {Iakhnenko, Marianna and Feyer, Vitaliy and Tsud, Nataliya and Plekan, Oksana and Wang, Feng and Ahmed, Marawan and Slobodyanyuk, Oleksandr V. and Acres, Robert G. and Matolin, Vladimir and Prince, Kevin C.}
}
@article {Nguyen2013a,
	title = {Ag-Cu catalysts for ethylene epoxidation: Selectivity and activity descriptors},
	journal = {Journal of Chemical Physics},
	volume = {138},
	number = {18},
	year = {2013},
	month = {may},
	pages = {184707},
	doi = {10.1063/1.4803157},
	author = {Ngoc Linh Nguyen and de Gironcoli, Stefano and Piccinin, Simone}
}
@article {Lugli2013,
	title = {And Yet it Moves! Microfluidics Without Channels and Troughs},
	journal = {Advanced Functional Materials},
	volume = {23},
	number = {44},
	year = {2013},
	month = {nov},
	pages = {5543–5549},
	doi = {10.1002/adfm.201300913},
	author = {Lugli, Francesca and Fioravanti, Giulia and Pattini, Denise and Pasquali, Luca and Montecchi, Monica and Gentili, Denis and Murgia, Mauro and Hemmatian, Zahra and Cavallini, Massimiliano and Zerbetto, Francesco}
}
@article {Kononov2013,
	title = {Andreev reflection at the edge of a two-dimensional electron system with strong spin-orbit coupling},
	journal = {Jetp Letters},
	volume = {98},
	number = {7},
	year = {2013},
	month = {dec},
	pages = {421–426},
	doi = {10.1134/S0021364013200071},
	author = {Kononov, A. and Biasiol, G. and Sorba, L. and Deviatov, E. V.}
}
@article {Mizuno2013,
	title = {Angular Correlation Between B K-VV Auger Electrons of BF3 Molecules and Coincident Fragment Ions: Manifestation of the Difference Between the Angular Correlation and Molecular Frame Auger Electron Angular Distribution},
	journal = {Physical Review Letters},
	volume = {110},
	number = {4},
	year = {2013},
	month = {jan},
	pages = {043001},
	doi = {10.1103/PhysRevLett.110.043001},
	author = {Mizuno, T. and Adachi, J. and Kazama, M. and Stener, M. and Decleva, P. and Yagishita, A.}
}
@article {Haberer2013,
	title = {Anisotropic Eliashberg function and electron-phonon coupling in doped graphene},
	journal = {Physical Review B},
	volume = {88},
	number = {8},
	year = {2013},
	month = {aug},
	pages = {UNSP 081401},
	doi = {10.1103/PhysRevB.88.081401},
	author = {Haberer, D. and Petaccia, L. and Fedorov, A. V. and Praveen, C. S. and Fabris, S. and Piccinin, S. and Vilkov, O. and Vyalikh, D. V. and Preobrajenski, A. and Verbitskiy, N. I. and Shiozawa, H. and Fink, J. and Knupfer, M. and Buechner, B. and Grueneis, A.}
}
@article {Natali2013,
	title = {Anomalous Proton Dynamics Of Water Molecules In Neural Tissue As Seen By Quasi-Elastic Neutron Scattering. Impact On Medical Imaging Techniques},
	journal = {4th International Symposium On Slow Dynamics In Complex Systems: Keep Going Tohoku},
	volume = {1518},
	year = {2013},
	pages = {World Ctr Educ & Res Trans-disciplinary Flow Dynam},
	doi = {10.1063/1.4794632},
	author = {Natali, F. and Gerelli, Y. and Stelletta, C. and Peters, J.}
}
@article {Fernandes2013,
	title = {Assessing screening criteria for the radiocarbon dating of bone mineral},
	journal = {Nuclear Instruments & Methods In Physics Research Section B-beam Interactions With Materials and Atoms},
	volume = {294},
	year = {2013},
	month = {jan},
	pages = {GNS Sci, Natl Isotope Ctr; Australian Nucl Sci & Technol Org; HighEOLEOLVoltage Engn; Natl Electrostat Corp},
	doi = {10.1016/j.nimb.2012.03.032},
	author = {Fernandes, Ricardo and Huels, Matthias and Nadeau, Marie-Josee and Grootes, Pieter M. and Garbe-Schoenberg, C. -Dieter and Hollund, Hege I. and Lotnyk, Andriy and Kienle, Lorenz}
}
@article {Montoncello2013,
	title = {Asymmetry of spin wave dispersions in a hexagonal magnonic crystal},
	journal = {Applied Physics Letters},
	volume = {102},
	number = {20},
	year = {2013},
	month = {may},
	pages = {202411},
	doi = {10.1063/1.4807657},
	author = {Montoncello, F. and Tacchi, S. and Giovannini, L. and Madami, M. and Gubbiotti, G. and Carlotti, G. and Sirotkin, E. and Ahmad, E. and Ogrin, F. Y. and Kruglyak, V. V.}
}
@article {Artiglia2013,
	title = {Atomic Structure and Special Reactivity Toward Methanol Oxidation of Vanadia Nanoclusters on TiO2(110)},
	journal = {Journal of the American Chemical Society},
	volume = {135},
	number = {46},
	year = {2013},
	month = {nov},
	pages = {17331–17338},
	doi = {10.1021/ja404889v},
	author = {Artiglia, Luca and Agnoli, Stefano and Vittadini, Andrea and Verdini, Alberto and Cossaro, Albano and Floreano, Luca and Granozzi, Gaetano}
}
@article {Caddeo2013,
	title = {Atomistic Investigation of the Solubility of 3-Alkylthiophene Polymers in Tetrahydrofuran Solvent},
	journal = {Macromolecules},
	volume = {46},
	number = {19},
	year = {2013},
	month = {oct},
	pages = {8003–8008},
	doi = {10.1021/ma401345n},
	author = {Caddeo, Claudia and Mattoni, Alessandro}
}
@article {Fratesi2013,
	title = {Azimuthal Dichroism in Near-Edge X-ray Absorption Fine Structure Spectra of Planar Molecules},
	journal = {Journal of Physical Chemistry C},
	volume = {117},
	number = {13},
	year = {2013},
	month = {apr},
	pages = {6632–6638},
	doi = {10.1021/jp312569q},
	author = {Fratesi, Guido and Lanzilotto, Valeria and Floreano, Luca and Brivio, Gian Paolo}
}
