Cacelli I, Prampolini G. DFT conformational study of banana-shaped mesogens. Chemical Physics [Internet]. 2005;314:283–290. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-18244377976&partnerID=40&md5=5d67cfa7213f1e77a199209b04772961 Abstract

Cacelli I, Cimoli A, Livotto PR, Prampolini G. An automated approach for the parameterization of accurate intermolecular force-fields: pyridine as a case study. Journal of Computational Chemistry. 2012;33:1055–67. Abstract

Cacelli I, Prampolini G. {Parametrization and Validation of Intramolecular Force Fields Derived from DFT Calculations}. J. Chem. Theor. Comput. 2007;3:1803–1817. Abstract

Cacelli I, Ferretti A, Prampolini G. Perturbative Multireference Configuration Interaction (CI-MRPT2) Calculations in a Focused Dynamical Approach: A Computational Study of Solvatochromism in Pyrimidine. Journal of Physical Chemistry A. 2015. Abstract

Cacelli I, De Gaetani L, Prampolini G, Tani A. {Liquid crystal properties of the n-alkyl-cyanobiphenyl series from atomistic simulations with ab initio derived force fields.}. J. Phys. Chem. B. 2007;111:2130–7. Abstract

Cacelli I, Ferretti A, Prampolini G, Barone V. BALOO: a Fast and Versatile Code for Accurate Multi-Reference Variational/Perturbative Calculations. Journal Chemical Theory and Computation. 2015:2024–2035. Abstract

Cacelli I, Cimoli A, Prampolini G. Geometry Optimization of Large and Flexible van der Waals Dimers: A Fragmentation-Reconstruction Approach. Journal of Chemical Theory and Computation. 2010;6:2536–2546. Abstract

Cacelli I, Prampolini G, Tani A. Atomistic simulation of a nematogen using a force field derived from quantum chemical calculations. Journal of Physical Chemistry B [Internet]. 2005;109:3531–3538. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-14844357243&partnerID=40&md5=0d86f186b8c578479984b6a800ccb5fe Abstract

Cacelli I, Cimoli A, De Gaetani L, Prampolini G, Tani A. Chemical Detail Force Fields for Mesogenic Molecules. Journal of Chemical Theory and Computation. 2009;5:1865–1876. Abstract

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

Cacelli I, De Gaetani L, Prampolini G, Tani A. {How the Odd-Even Effects on the Inter-Molecular Potentials Propagate to the Order Parameter in the 4-Cyano-4′ n -Alkylbiphenyl Series}. Molecular Crystals and Liquid Crystals. 2007;465:175–186.

Calabrese EC, Castellano S, Santoriello M, Sgherri C, Quartacci MF, Calucci L, Warrilow AGS, Lamb DC, Kelly SL, Milite C, et al. Antifungal activity of azole compounds CPA18 and CPA109 against azole-susceptible and -resistant strains of Candida albicans. The Journal of antimicrobial chemotherapy [Internet]. 2013;68:1111–1119. Available from: http://www.ncbi.nlm.nih.gov/pubmed/23292344 Abstract

Calucci L, Forte C, Cicogna F, Pinzino C, Castellano S, Porta A. Interaction of azole compounds with DOPC and DOPC/Ergosterol bilayers by spin probe EPR spectroscopy: implications for antifungal activity. J. Phys. Chem. B. 2013;117:11978-11987.

Calucci L, Geppi M, Przedmojski J, Czub J, Urban S, Dabrowski R. H-2 NMR and X-ray studies of a substance exhibiting crystal-like smectic phases. MOLECULAR CRYSTALS AND LIQUID CRYSTALS [Internet]. 2007;465:109-119. Available from: http://www.tandfonline.com/doi/abs/10.1080/15421400701205636 Abstract

Calucci L, Forte C, Buwalda SJ, Dijkstra PJ, Feijen J. Self-Aggregation of Gel Forming PEG-PLA Star Block Copolymers in Water. LANGMUIR. 2010;26:12890–12896. Abstract

Calucci L, Forte C, Ranucci E. Water/polymer interactions in poly(amidoamine) hydrogels by H-1 nuclear magnetic resonance relaxation and magnetization transfer. JOURNAL OF CHEMICAL PHYSICS. 2008;129. Abstract

Calucci L, Forte C, Gerges I, Ranucci E. Effect of pH on water proton NMR relaxation in agmatine-containing poly(amidoamine) hydrogels. Langmuir : the ACS journal of surfaces and colloids [Internet]. 2009;25:2449–55. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-63249131406&partnerID=40&md5=c5753ac08ac399e088ef5398c6c60d25 Abstract

Calucci L, Fodor-Csorba K, Forte C, Geppi M. Orientational Order, Molecular Organization, and Dynamics in Mixtures of Bent-Core and Rod-Shaped Mesogens: A 2H NMR Study. Journal of Physical Chemistry B. 2011;115:440-449. Abstract

Calucci L, Veracini CA. Liquid Crystals and Liquid Crystal Solutions Studied by NMR. In: Reference Module in Chemistry, Molecular Sciences and Chemical Engineering. Reference Module in Chemistry, Molecular Sciences and Chemical Engineering. ; 2014. p. . Available from: http://www.sciencedirect.com/science/article/pii/B9780124095472109941 Abstract

Calucci L, Forte C, Ranucci E. Water/polymer interactions in a poly(amidoamine) hydrogel studied by NMlR spectroscopy. BIOMACROMOLECULES. 2007;8:2936–2942. Abstract

Calucci L, Forte C. Proton longitudinal relaxation coupling in dynamically heterogeneous soft systems. PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY. 2009;55:296–323.

Calucci L, Ciofani G, De Marchi D, Forte C, Menciassi A, Menichetti L, Positano V. Boron Nitride Nanotubes as T2 -Weighted MRI Contrast Agents. The Journal of Physical Chemistry Letters [Internet]. 2010;1:2561–2565. Available from: http://pubs.acs.org/doi/abs/10.1021/jz100895s Abstract

Calucci L, Pampaloni G, Pinzino C, Prescimone A. Transition metal derivatives of 1,10-phenanthroline-5,6-dione: Controlled growth of coordination polynuclear derivatives. Inorganica Chimica Acta [Internet]. 2006;359:3911–3920. Available from: http://linkinghub.elsevier.com/retrieve/pii/S0020169306002593

Calucci L, Carignani E, Geppi M, Macchi S, Mennucci B, Urban S. Orientational order of two fluoro- and isothiocyanate-substituted nematogens by combination of 13C NMR spectroscopy and DFT calculations. The journal of physical chemistry. B [Internet]. 2014;118:3469–3477. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84897145316&partnerID=40&md5=2a6ffa330b8a424ef78bc9331772c3a6 http://www.ncbi.nlm.nih.gov/pubmed/24605890 Abstract

Calucci L, Cloke GFN, Englert U, Hitchcock PB, Pampaloni G, Pinzino C, Puccini F, Volpe M. Synthesis of chromium(0) and molybdenum(0) bis (eta(6)-arene) derivatives and their monoelectronic oxidation to [M(eta(6)-arene)(2)](+) cations. Dalton transactions (Cambridge, England : 2003) [Internet]. 2006:4228–4234. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-33747847090&partnerID=40&md5=d8b8d8895fd7d8c333f2e0da94f27147 http://www.ncbi.nlm.nih.gov/pubmed/16932815 Abstract