Gianni CARDINI

Ruolo attuale:: Professore Ordinario
SSD:: CHEM-02/A - Chimica fisica
Afferenza organizzativa:: Dipartimento di Chimica 'Ugo Schiff' - DICUS

Recapiti

	0554573072 - 0554573059
	gianni.cardini(AT)unifi.it

Ulteriori Recapiti

	+39 3335213799
	www.chim.unifi.it:/~cardini

Gianni CARDINI

Orario di ricevimento (aggiornato al 23/10/2023)

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Gianni CARDINI

Biografia

Dottore di Ricerca in Scienze Chimiche (1989)

Laurea in Chimica Universita` di Firenze 17/07/1981

Gianni CARDINI

Curriculum

Gianni Cardini e' nato il 17 Luglio 1956. Ha conseguito la Laurea in Chimica presso l'Universita' di Firenze il 17 Luglio 1981. Ha svolto attivita' di ricerca dal Settembre 1983 al Maggio 1985 presso l'University of Lethbridge (Alberta, Canada) con il Prof. S.F.O'Shea e dal Luglio 1987 all'Aprile 1988 presso l'Univerity of Pennsylvania con il Prof. M.L. Klein.
Ha conseguito nel Settembre 1989 il titoilo di Dottore di Ricerca in Scienze Chimiche (studi svolti presso il Dipartimeno di Chimica dell'Universita' di Firenze).
Dal Settembre 1989 al Maggio 1990 e' stato borsista IBM presso il Laboratorio Europeo di Spettroscopie non lineari (LENS).
Il 31 Maggio 1990 ha preso servizio come Ricercatore Universitario presso il Dipartimento di Chimica dell'Universita' di Firenze, Facolta' di Scienze Matematiche Fisiche e Naturali.
Dal 1/02/2000 al 30/12/2004 e' stato Professore Associato di Chimica Fisica (SSD CHIM/02) nella Facolta' di Scienze Matematiche Fisiche e Naturali dell'Universita' di Firenze.
E' stato presidente del consiglio di corso di laurea in Chimica per gli anni accademi 2003-04/2005-06.
Il 30/12/2004 ha preso servizio come Professore ordinario nel settore CHIM/02: Chimica Fisica, nella Facolta' di Scienze Matematiche Fisiche e Naturali dell'Universita' di Firenze.
Dal 2007 al 2009 e'stato coordinatore del dottorato di ricerca in scienze Chimiche.
Dall'Aprile 2019 e' stato presidente della Scuola di Scienze Matematiche, Fisiche e Naturali per 3 anni.

Gianni CARDINI

Pubblicazioni

Legenda

Contributo su rivista |

Articolo su libro |

Libro |

Contributo in atti di convegno (proceeding) |

Brevetto |

Curatela | Altro

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Tesi di Dottorato

Casoria, Michele; Macchiagodena, Marina; Rovero, Paolo; Andreini, Claudia; Papini, Anna Maria; Cardini, Gianni; Pagliai, Marco (2024). Upgrading of the general AMBER force field 2 for fluorinated alcohol biosolvents: A validation for water solutions and melittin solvation. JOURNAL OF PEPTIDE SCIENCE, pp. 1-12, ISSN:1099-1387 DOI Accesso ONLINE all'editore

Casoria, Michele; Macchiagodena, Marina; Bazzicalupi, Carla; Andreini, Claudia; Cardini, Gianni; Papini, Anna Maria; Pagliai, Marco (2024). An Advanced Database for GlycoPeptide Structure Exploration to build GlycoPeptideStructure Hub: GPS Hub. In: Proceedings of the 37th European Peptide Symposium, Michal Lebl, pp. 1277-1277. DOI

Li, Hanwei; Briccolani-Bandini, Lorenzo; Tirri, Bernardino; Cardini, Gianni; Brémond, Eric; Sancho-García, Juan Carlos; Adamo, Carlo (2024). Evaluating Noncovalent Interactions in Halogenated Molecules with Double-Hybrid Functionals and a Dedicated Small Basis Set. JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY, vol. 128, pp. 6581-6592, ISSN:1089-5639 DOI Accesso ONLINE all'editore

Casoria, Michele; Macchiagodena, Marina; Bazzicalupi, Carla; Andreini, Claudia; Cardini, Gianni; Papini, Anna Maria; Pagliai, Marco (2024). Machine Learning Reveals Structural Properties of Monosaccharides and their Peptide Conjugates. In: European Peptide Symposium, Michal Lebl, pp. 1278-1278. DOI

Briccolani‐Bandini, Lorenzo; Brémond, Eric; Pagliai, Marco; Cardini, Gianni; Ciofini, Ilaria; Adamo, Carlo (2023). Concerted versus stepwise proton transfer reactions in the [2, 2′‐bipyridyl]‐3‐3′‐diol molecule: A static and dynamic ab‐initio investigation. JOURNAL OF COMPUTATIONAL CHEMISTRY, vol. 44, pp. 2308-2318, ISSN:0192-8651 DOI Accesso ONLINE all'editore

Di Grande, Silvia; Ciofini, Ilaria; Adamo, Carlo; Pagliai, Marco; Cardini, Gianni (2022). Absorption Spectra of Flexible Fluorescent Probes by a Combined Computational Approach: Molecular Dynamics Simulations and Time-Dependent Density Functional Theory. JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY, vol. 126, pp. 8809-8817, ISSN:1089-5639 DOI

Casoria Michele, Rovero Paolo, Cardini Gianni, Macchiagodena Marina, Papini Anna Maria, Andreini Claudia, Pagliai Marco (2022). Molecular Dynamic approach on synthetic conformational peptides to detect epitopes in autoimmune desease.. In: 4th National Congress of Italian Peptide Society, none, pp. 21-21.

Michele Casoria, Paolo Rovero, Cardini Gianni, Marina Macchiagodena, Anna Maria Papini, Claudia Andreini, Marco Pagliai. (2022). From a bioinformatic approach to synthetic conformational peptide epitopes to disclose molecular mechanism of aberrant glucosylation in Multiple Sclerosis. In: 36th European and 12th International Peptide Symposium EPS 2022, Sitges, 28th August to 2nd September 2022, Michal Lebl, pp. 237-240.

Casoria Michele, Rovero Paolo, Cardini Gianni, Macchiagodena Marina, Papini Anna Maria, Andreini Claudia, Pagliai Marco. (2022). From a bioinformatic approach to synthetic conformational peptide epitopes to disclose molecular mechanism of aberrant glucosylation in Multiple Sclerosis. In: workshop DCTC 2022, Florence, 8th April, none, pp. 20-21. Accesso ONLINE all'editore

Gelli R.; Briccolani-Bandini L.; Pagliai M.; Cardini G.; Ridi F.; Baglioni P. (2022). Exploring the effect of Mg2+ substitution on amorphous calcium phosphate nanoparticles. JOURNAL OF COLLOID AND INTERFACE SCIENCE, vol. 606, pp. 444-453, ISSN:0021-9797 DOI

Briccolani-Bandini L.; Pagliai M.; Cordero F.M.; Brandi A.; Cardini G. (2021). "cyclopropylidene Effect" in the 1,3-Dipolar Cycloaddition of Nitrones to Alkylidene Cyclopropanes: A Computational Rationalization. JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY, vol. 125, pp. 3892-3899, ISSN:1089-5639 DOI Accesso ONLINE all'editore

Boccalini M.; Cammi R.; Pagliai M.; Cardini G.; Schettino V. (2021). Toward an Understanding of the Pressure Effect on the Intramolecular Vibrational Frequencies of Sulfur Hexafluoride. JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY, vol. 125, pp. 6362-6373, ISSN:1089-5639 DOI

Ranzenigo, Anna; Mercurio, Chiara; Karrenbrock, Maurice; Cordero, Franca M.; Cardini, Gianni; Pagliai, Marco; Brandi, Alberto (2020). Regioselective Deuteration of a 3,4-Dialkoxypyrroline N-Oxide and Synthesis of 8a-d-Indolizidines. EUROPEAN JOURNAL OF ORGANIC CHEMISTRY, pp. 3423-3429, ISSN:1099-0690 DOI Accesso ONLINE all'editore

Pagliai, Marco; Funghi, Giada; Vassetti, Dario; Procacci, Piero; Chelli, Riccardo; Cardini, Gianni (2019). Imidazole in Aqueous Solution: Hydrogen Bond Interactions and Structural Reorganization with Concentration. JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL, vol. 123, pp. 4055-4064, ISSN:1520-6106 DOI Accesso ONLINE all'editore

Briccolani-Bandini L.; Brandi A.; Cardini G.; Chelli R.; Cordero F.M.; Gellini C.; Pagliai M. (2019). Computational Investigation of the Selective Cleavage of Diastereotopic Cyclopropane Bonds in 5-Spirocyclopropane Isoxazolidines Rearrangement. JOURNAL OF ORGANIC CHEMISTRY, vol. 84, pp. 6757-6764, ISSN:0022-3263 DOI Accesso ONLINE all'editore

Pagliai M.; Macchiagodena M.; Procacci P.; Cardini G. (2019). Evidence of a Low-High Density Turning Point in Liquid Water at Ordinary Temperature under Pressure: A Molecular Dynamics Study. THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS, vol. 10, pp. 6414-6418, ISSN:1948-7185 DOI Accesso ONLINE all'editore

Giovannelli, Edoardo; Gellini, Cristina; Pietraperzia, Giangaetano; Cardini, Gianni; Procacci, Piero; Pagliai, Marco; Volkov, Victor; Chelli, Riccardo (2018). Correspondence between light-absorption spectrum and nonequilibrium work distribution as a mean to access free energy differences between electronic states. THE JOURNAL OF CHEMICAL PHYSICS, vol. 149, pp. 084101-1-084101-7, ISSN:0021-9606 DOI Accesso ONLINE all'editore

Macchiagodena, Marina; Mancini, Giordano; Pagliai, Marco; Cardini, Gianni; Barone, Vincenzo (2018). New atomistic model of pyrrole with improved liquid state properties and structure. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, vol. 118, pp. e25554-e25554, ISSN:0020-7608 DOI Accesso ONLINE all'editore

Pagliai, Marco; Osticioli, Iacopo; Nevin, Austin; Siano, Salvatore; Cardini, Gianni; Schettino, Vincenzo (2018). DFT calculations of the IR and Raman spectra of anthraquinone dyes and lakes. JOURNAL OF RAMAN SPECTROSCOPY, vol. 49, pp. 668-683, ISSN:0377-0486 DOI Accesso ONLINE all'editore

Giovannelli, Edoardo; Cioni, Matteo; Procacci, Piero; Cardini, Gianni; Pagliai, Marco; Volkov, Victor; Chelli, Riccardo (2017). Binding Free Energies of Host-Guest Systems by Nonequilibrium Alchemical Simulations with Constrained Dynamics: Illustrative Calculations and Numerical Validation. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, vol. 13, pp. 5887-5899, ISSN:1549-9626 DOI Accesso ONLINE all'editore

Giovannelli, Edoardo; Procacci, Piero; Cardini, Gianni; Pagliai, Marco; Volkov, Victor; Chelli, Riccardo (2017). Binding Free Energies of Host-Guest Systems by Nonequilibrium Alchemical Simulations with Constrained Dynamics: Theoretical Framework. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, vol. 13, pp. 5874-5886, ISSN:1549-9618 DOI Accesso ONLINE all'editore

Caratelli, Chiara; Cammi, Roberto; Chelli, Riccardo; Pagliai, Marco; Cardini, Gianni; Schettino, Vincenzo (2017). Insights on the Realgar Crystal Under Pressure from XP-PCM and Periodic Model Calculations. JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY, vol. 121, pp. 8825-8834, ISSN:1089-5639 DOI Accesso ONLINE all'editore

Pagliai, Marco; Cammi, Roberto; Cardini, Gianni; Schettino, Vincenzo (2016). XP-PCM Calculations of High Pressure Structural and Vibrational Properties of P4S3. JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY, vol. 120, pp. 5136-5144, ISSN:1089-5639 DOI Accesso ONLINE all'editore

Giovannelli, Edoardo; Cardini, Gianni; Chelli, Riccardo (2016). Elastic barrier dynamical freezing in free energy calculations: A way to speed up nonequilibrium molecular dynamics simulations by orders of magnitude. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, vol. 12, pp. 1029-1039, ISSN:1549-9618 DOI Accesso ONLINE all'editore

Giovannelli, Edoardo; Cardini, Gianni; Volkov, Victor; Chelli, Riccardo (2016). Nonequilibrium work theorems applied to transitions between configurational domains. JOURNAL OF STATISTICAL MECHANICS: THEORY AND EXPERIMENT, vol. 123204, pp. 1-23, ISSN:1742-5468 DOI Accesso ONLINE all'editore

Delcroix, Pauline; Pagliai, Marco; Cardini, Gianni; Bégué, Didier; Hanoune, Benjamin (2015). Identification of Di(oxymethylene)glycol in the Raman Spectrum of Formaldehyde Aqueous Solutions by ab Initio Molecular Dynamics Simulations and Quantum Chemistry Calculations. JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY, vol. 119, pp. 9785-9793, ISSN:1089-5639 DOI Accesso ONLINE all'editore

Giovannelli, Edoardo; Cardini, Gianni; Gellini, Cristina; Pietraperzia, Giangaetano; Chelli, Riccardo (2015). Computing Free Energy Differences of Configurational Basins. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, vol. 11, pp. 3561-3571, ISSN:1549-9618 DOI Accesso ONLINE all'editore

Giovannelli, Edoardo; Cardini, Gianni; Gellini, Cristina; Pietraperzia, Giangaetano; Chelli, Riccardo (2015). Annealed importance sampling with constant cooling rate. THE JOURNAL OF CHEMICAL PHYSICS, vol. 142, pp. 074102-1-074102-8, ISSN:0021-9606 DOI Accesso ONLINE all'editore

Chelli, Riccardo; Cardini, Gianni; Giovannelli, Edoardo; Signorini, Giorgio F.; Procacci, Piero (2015). Implementations of nonequilibrium methods for free energy calculations: forthcoming developments of the ORAC molecular dynamics simulation code. VIRT&L-COMM, vol. 7, pp. 0-0, ISSN:2279-8773 Accesso ONLINE all'editore

Giovannelli, Edoardo; Cardini, Gianni; Chelli, Riccardo (2015). Simulations in generalized ensembles through noninstantaneous switches. PHYSICAL REVIEW E, STATISTICAL, NONLINEAR, AND SOFT MATTER PHYSICS, vol. 92, pp. 043310-1-043310-10, ISSN:1539-3755 DOI Accesso ONLINE all'editore

Delcroix, Pauline; Pagliai, Marco; Cardini, Gianni; Bégué, Didier; Hanoune, Benjamin (2015). Structural and spectroscopic properties of methanediol in aqueous solutions from quantum chemistry calculations and ab initio molecular dynamics simulations. JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY, vol. 119, pp. 290-298, ISSN:1089-5639 DOI Accesso ONLINE all'editore

G. Cardini;V. Schettino (2014). Comment on ?Fermi resonance in solid CO2 under pressure? [J. Chem. Phys. 138, 074501 (2013)]. THE JOURNAL OF CHEMICAL PHYSICS, vol. 140, pp. 177101-177101, ISSN:0021-9606 DOI

Giovannelli, Edoardo; Gellini, Cristina; Pietraperzia, Giangaetano; Cardini, Gianni; Chelli, Riccardo (2014). Combining path-breaking with bidirectional nonequilibrium simulations to improve efficiency in free energy calculations. THE JOURNAL OF CHEMICAL PHYSICS, vol. 140, pp. 064104-1-064104-8, ISSN:0021-9606 DOI Accesso ONLINE all'editore

Marco Pagliai; Gianni Cardini; Roberto Cammi (2014). Vibrational Frequencies of Fullerenes C60and C70under Pressure Studied with a Quantum Chemical Model Including Spatial Confinement Effects. JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY, vol. 118, pp. 5098-5111, ISSN:1089-5639 DOI Accesso ONLINE all'editore

Giovannelli, Edoardo; Gellini, Cristina; Pietraperzia, Giangaetano; Cardini, Gianni; Chelli, Riccardo (2014). Nonequilibrium candidate Monte Carlo simulations with configurational freezing schemes. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, vol. 10, pp. 4273-4283, ISSN:1549-9618 DOI Accesso ONLINE all'editore

Chelli, Riccardo; Gellini, Cristina; Pietraperzia, Giangaetano; Giovannelli, Edoardo; Cardini, Gianni (2013). Path-breaking schemes for nonequilibrium free energy calculations. THE JOURNAL OF CHEMICAL PHYSICS, vol. 138, pp. 214109-1-214109-11, ISSN:0021-9606 DOI Accesso ONLINE all'editore

Francesco Muniz-Miranda; Marco Pagliai; Gianni Cardini; Roberto Righini (2012). Hydrogen bond effects in the vibrational spectra of 1,3-propanediol in acetonitrile: Ab initio and experimental study. THE JOURNAL OF CHEMICAL PHYSICS, vol. 137, pp. 244501-1-244501-11, ISSN:0021-9606 DOI Accesso ONLINE all'editore

Francesco Muniz-Miranda; Marco Pagliai; Gianni Cardini; Roberto Righini (2012). Bifurcated Hydrogen Bond in Lithium Nitrate Trihydrate Probed by ab Initio Molecular Dynamics. JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY, vol. 116, pp. 2147-2153, ISSN:1089-5639 DOI Accesso ONLINE all'editore

M. Pagliai; P. Bonazzi; L. Bindi; M. Muniz-Miranda; G. Cardini (2011). Structural and Vibrational Properties of Arsenic Sulfides: Alacranite (As8S9). JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY, vol. 115, pp. 4558-4562, ISSN:1089-5639 DOI Accesso ONLINE all'editore

M.Pagliai; F.Muniz-Miranda; G.Cardini; R.Righini; V.Schettino (2011). Spectroscopic properties with a combined approach of ab initio molecular dynamics and wavelet analysis. JOURNAL OF MOLECULAR STRUCTURE, vol. 993, pp. 438-442, ISSN:0022-2860 DOI Accesso ONLINE all'editore

Francesco Muniz-Miranda; Marco Pagliai; Gianni Cardini; Vincenzo Schettino (2011). Wavelet Transform for Spectroscopic Analysis: Application to Diols in Water. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, vol. 7, pp. 1109-1118, ISSN:1549-9618 DOI Accesso ONLINE all'editore

M.Pagliai; M.Muniz-Miranda; G.Cardini; V.Schettino (2011). Raman and infrared spectra of minerals from ab initio molecular dynamics simulations: The spodumene crystal. JOURNAL OF MOLECULAR STRUCTURE, vol. 993, pp. 151-154, ISSN:0022-2860 DOI Accesso ONLINE all'editore

F.Muniz-Miranda;M.Pagliai;G. Cardini;V.Schettino (2010). Spectroscopic properties of hydrogen-bonded systems by wavelet analysis. In: EUCMOS - 30th European Congress of Molecular Spectroscopy, Firenze, EUCMOS, pp. 251-251.

Margherita Citroni; Roberto Bini; Marco Pagliai; Gianni Cardini; Vincenzo Schettino (2010). Nitromethane decomposition under high static pressure. THE JOURNAL OF PHYSICAL CHEMISTRY. B, vol. 114, pp. 9420-9428, ISSN:1520-5207 DOI Accesso ONLINE all'editore

M. Pagliai;F.Muniz-Miranda;G.Cardini;R.Righini;V. Schettino (2010). Hydrogen bond dynamics of methyl acetate in methanol. In: EUCMOS - 30th European Congress of Molecular Spectroscopy, Firenze, M. Becucci, C. Gellini, V. Schettino, pp. 271-271.

M.Pagliai;F.Muniz-Miranda;G.Cardini;R.Righini;V.Schettino (2010). Hydrogen bond dynamics of methyl acetate in methanol. THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS, vol. 1, pp. 2951-2955, ISSN:1948-7185 DOI

M.Pagliai; M.Muniz-Miranda; G.Cardini; V.Schettino (2009). Solvation Dynamics and Adsorption on Ag Hydrosols of Oxazole: A Raman and Computational Study. JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY, vol. 113, pp. 15198-15205, ISSN:1089-5639 DOI

V.Schettino; R.Bini; G.Cardini; M.Ceppatelli; M.Citroni; M.Pagliai (2009). Spectroscopy and monitoring of high pressure phenomena. JOURNAL OF MOLECULAR STRUCTURE, vol. 924-926, pp. 2-8, ISSN:0022-2860 DOI

M. Muniz-Miranda; M. Pagliai; G. Cardini; L. Messori; B. Bruni; A. Casini; M. Di Vaira; V. Schettino (2008). A multi-technique approach to predicting the molecular structure of cuprizone in the gas phase and in the crystalline state. CRYSTENGCOMM, vol. 10, pp. 416-422, ISSN:1466-8033 DOI

M.Pagliai; C.Cavazzoni; G.Cardini; G.Erbacci; M.Parrinello; V.Schettino (2008). Anharmonic infrared and Raman spectra in Car-Parrinello molecular dynamics simulations. THE JOURNAL OF CHEMICAL PHYSICS, vol. 128, pp. 224514(1)-224514(7), ISSN:0021-9606 DOI Accesso ONLINE all'editore

Martina Mugnai; M. Pagliai; G. Cardini; V. Schettino (2008). Mechanism of the Ethylene Polymerization at Very High Pressure. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, vol. 4, pp. 646-651, ISSN:1549-9618 DOI

V.Schettino; R.Bini; G.Cardini; M.Ceppatelli; M.Citroni; M.Pagliai (2008). Solid-state transitions and chemical reactions at high pressure. IL NUOVO CIMENTO DELLA SOCIETÀ ITALIANA DI FISICA. B, GENERAL PHYSICS, RELATIVITY, ASTRONOMY AND MATHEMATICAL PHYSICS AND METHODS, vol. 123, pp. 1399-1414, ISSN:1594-9982 DOI

C. FARALLI; M. PAGLIAI; G. CARDINI; V. SCHETTINO (2008). Ab initio molecular dynamics study of Mg2+ and Ca2+ ions in liquid methanol. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, vol. 4, pp. 156-163, ISSN:1549-9618 DOI

M. MUNIZ-MIRANDA; M. PAGLIAI; G. CARDINI; V. SCHETTINO (2008). Role of surface metal clusters in SERS spectra of ligands adsorbed on Ag colloidal nanoparticles. JOURNAL OF PHYSICAL CHEMISTRY. C, vol. 112, pp. 762-767, ISSN:1932-7447 DOI Accesso ONLINE all'editore

E. DI PIETRO; G. CARDINI; V. SCHETTINO (2007). Ab Initio Molecular Dynamics Study of the Hydrolysis Reaction of Diborane. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, vol. 9, pp. 3857-3863, ISSN:1463-9076, Royal Society of Chemistry:Thomas Graham House, Science Park, Cambridge CB4 0WF United Kingdom:011 44 1223 432360, EMAIL: sales@rsc.org, INTERNET: http://www.rsc.org, http://www.chensoc.org, Fax: 011 44 1223 423429: DOI

M. MUNIZ-MIRANDA; G. CARDINI; M. PAGLIAI; V. SCHETTINO (2007). DFT investigation on the SERS band at ~1025 cm-1 of pyridine adsorbed on silver. CHEMICAL PHYSICS LETTERS, vol. 436, pp. 179-183, ISSN:0009-2614 DOI

V. SCHETTINO; M. PAGLIAI; G. CARDINI (2007). Molecular dynamics of chemical reactions and phase transitions at high pressure. CHIMICA OGGI-CHEMISTRY TODAY, vol. 25, pp. 42-44, ISSN:0392-839X

M. MUGNAI; G. CARDINI; V. SCHETTINO; C. J. NIELSEN (2007). Ab initio molecular dynamics study of aqueous formaldehyde and methanediol. MOLECULAR PHYSICS, vol. 105, pp. 2203-2210, ISSN:0026-8976, Taylor & Francis Limited:Rankine Road, Basingstoke RG24 8PR United Kingdom:011 44 1256 813035, EMAIL: madeline.sims@tandf.co.uk, info@tandf.co.uk, INTERNET: http://www.tandf.co.uk, Fax: 011 44 1256 330245:

Schettino, Vincenzo; Chelli, Riccardo; Marsili, Simone; Barducci, Alessandro; Faralli, Cristian; Pagliai, Marco; Procacci, Piero; Cardini, Gianni (2007). Problems in molecular dynamics of condensed phases. THEORETICAL CHEMISTRY ACCOUNTS, vol. 117, pp. 1105-1120, ISSN:1432-881X DOI Accesso ONLINE all'editore

G. CARDINI; M. MUNIZ-MIRANDA; M. PAGLIAI; V. SCHETTINO (2007). A density functional study of the SERS spectra of pyridine adsorbed on silver clusters. THEORETICAL CHEMISTRY ACCOUNTS, vol. 117, pp. 451-458, ISSN:1432-881X

CRISTIAN FARALLI; M. PAGLIAI; G. CARDINI; V. SCHETTINO (2007). The solvation dynamics of Na+ and K+ ions in liquid methanol. THEORETICAL CHEMISTRY ACCOUNTS, vol. 118, pp. 417-423, ISSN:1432-881X, Springer Verlag Germany:Tiergartenstrasse 17, D 69121 Heidelberg Germany:011 49 6221 3450, EMAIL: g.braun@springer.de, INTERNET: http://www.springer.de, Fax: 011 49 6221 345229:

Racko, Dusan; Chelli, Riccardo; Cardini, Gianni; Califano, Salvatore; Bartos, Josef (2007). Free volume from molecular dynamics simulations and its relationships to the positron annihilation lifetime spectroscopy. THEORETICAL CHEMISTRY ACCOUNTS, vol. 118, pp. 443-448, ISSN:1432-881X DOI Accesso ONLINE all'editore

M. PAGLIAI; MARCELLA IANNUZZI; GIANNI CARDINI; MICHELE PARRINELLO; V. SCHETTINO (2006). Lithium hydroxide phase transition under high pressure: an ab initio molecular dynamics study. CHEMPHYSCHEM, vol. 7, pp. 141-147, ISSN:1439-4235 DOI

M. PAGLIAI; LUCA BELLUCCI; M. MUNIZ-MIRANDA; G. CARDINI; V. SCHETTINO (2006). A combined Raman, DFT and MD study of the solvation dynamics and the adsorption process of pyridine in silver hydrosols. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, vol. 8, pp. 171-178, ISSN:1463-9076 DOI Accesso ONLINE all'editore

ELISA DI PIETRO; M. PAGLIAI; G. CARDINI; VINCENZO SCHETTINO (2006). Solid-State Phase Transition Induced by Pressure in LiOH.H2O. JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL, vol. 110, pp. 13539-13546, ISSN:1520-6106 DOI

CRISTIAN FARALLI; M. PAGLIAI; GIANNI CARDINI; V. SCHETTINO (2006). Structure and dynamics of Br- ion in liquid methanol. JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL, vol. 110, pp. 14923-14928, ISSN:1520-6106 DOI

Chelli, Riccardo; Pagliai, Marco; Procacci, Piero; Cardini, Gianni; Schettino, Vincenzo (2005). Polarization response of water and methanol investigated by a polarizable force field and density functional theory calculations: Implications for charge transfer. THE JOURNAL OF CHEMICAL PHYSICS, vol. 122, pp. 074504-1-074504-10, ISSN:0021-9606 DOI Accesso ONLINE all'editore

Racko, Dusan; Chelli, Riccardo; Cardini, Gianni; Bartos, Josef; Califano, Salvatore (2005). Insights into positron annihilation lifetime spectroscopy by molecular dynamics simulations. Free-volume calculations for liquid and glassy glycerol. THE EUROPEAN PHYSICAL JOURNAL. D, ATOMIC, MOLECULAR AND OPTICAL PHYSICS, vol. 32, pp. 289-297, ISSN:1434-6060 DOI Accesso ONLINE all'editore

M. PAGLIAI; G. CARDINI; VINCENZO SCHETTINO (2005). Solvation dynamics of Li+ and Cl- ions in liquid methanol. JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL, vol. 109, pp. 7475-7481, ISSN:1520-6106 DOI

M. MUNIZ-MIRANDA; G. CARDINI; V. SCHETTINO (2004). Surface-enhanced Raman spectra of pyridine and pyrazolide on silver colloids: chemical and electromagnetic effects. THEORETICAL CHEMISTRY ACCOUNTS, vol. 111, pp. 264-269, ISSN:1432-881X DOI Accesso ONLINE all'editore

Gemechu, A. S.; Hoffmann, J. H. Lone; Marquardt, Sebastian; Eisenhardt, G. Christopher; Baumgartel, Helmut; Chelli, Riccardo; Cardini, Gianni; Califano, Salvatore (2004). The absorption spectrum of anisole and the anisole/CO2 1:1-cluster. The influence of intermolecular interaction on intramolecular vibrations. ZEITSCHRIFT FÜR PHYSIKALISCHE CHEMIE, vol. 218, pp. 123-153, ISSN:0942-9352 DOI Accesso ONLINE all'editore

G. CARDINI; M. MUNIZ-MIRANDA; V. SCHETTINO (2004). SERS and DFT study on 4-methylpyridine adsorbed on silver colloids and electrodes. JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL, vol. 108, pp. 17007-17011, ISSN:1520-6106 DOI Accesso ONLINE all'editore

MARTINA MUGNAI; G. CARDINI; V. SCHETTINO (2004). Ab-initio molecular dynamics study of the potential energy surface for the CH3Cl + F- reaction. ATTI DELLA ACCADEMIA NAZIONALE DEI LINCEI. CLASSE DI SCIENZE FISICHE, MATEMATICHE E NATURALI. RENDICONTI LINCEI. SUPPLEMENTO, vol. 14, pp. 99-113, ISSN:1121-3094 DOI

MARTINA MUGNAI; GIANNI CARDINI; V. SCHETTINO (2004). High pressure reactivity of propene by first principles molecular dynamics calculations. THE JOURNAL OF CHEMICAL PHYSICS, vol. 120, pp. 5327-5333, ISSN:0021-9606 DOI Accesso ONLINE all'editore

MARTINA MUGNAI; G. CARDINI; V. SCHETTINO (2004). Charge separation and polymerization of hydrocarbons at ultrahigh pressure. PHYSICAL REVIEW. B, CONDENSED MATTER AND MATERIALS PHYSICS, vol. 70, pp. 020101(1)-020101(4), ISSN:1098-0121 DOI

M. PAGLIAI; G. CARDINI; R. RIGHINI; V. SCHETTINO (2003). Hydrogen bond dynamics in liquid methanol. THE JOURNAL OF CHEMICAL PHYSICS, vol. 119, pp. 6655-6662, ISSN:0021-9606

Chelli, Riccardo; Cardini, Gianni; Procacci, Piero; Righini, Roberto; Califano, Salvatore (2003). Dynamical and structural correlation in supercooled liquids: a molecular dynamics investigation of m-toluidine. THE JOURNAL OF CHEMICAL PHYSICS, vol. 119, pp. 357-363, ISSN:0021-9606 DOI Accesso ONLINE all'editore

MARTINA MUGNAI; G. CARDINI; V. SCHETTINO (2003). The Substitution and Elimination Reaction of F- with C2H5Cl: An Ab-Initio Molecular Dynami cs Study. JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY, vol. 107, pp. 2540-2547, ISSN:1089-5639, American Chemical Society:1155 Sixteenth Street Northwest:Washington, DC 20036:(800)227-5558, EMAIL: service@acs.org, INTERNET: http://www.pubs.acs.org, Fax: (614)447-3671:

Chelli, Riccardo; Cardini, Gianni; Procacci, Piero; Righini, Roberto; Califano, Salvatore (2003). Dynamics and structure of liquid and supercooled liquid m-toluidine investigated by molecular dynamics simulations. In: XII UPS Conference: Recent Advances in Ultrafast Spectroscopy, Firenze, Ottobre 2001, Leo S. Olschki, Firenze, pp. 57-67, ISBN:8822252519

MARTINA MUGNAI; G. CARDINI; V. SCHETTINO (2003). An ab-initio molecular dynamics study of the SN2 reaction F- + CH3Cl -> CH3F + Cl-. THE JOURNAL OF CHEMICAL PHYSICS, vol. 118, pp. 2767-2774, ISSN:0021-9606

M. PAGLIAI; S. RAUGEI; G. CARDINI; V. SCHETTINO (2003). Intramolecular solvation effects in the SN2 reaction Cl-+Cl(CH2) nCN. THE JOURNAL OF CHEMICAL PHYSICS, vol. 119, pp. 9063-9072, ISSN:0021-9606

M. PAGLIAI; S. RAUGEI; G. CARDINI; V. SCHETTINO (2003). Car-Parrinello Molecular Dynamics on the SN2 reaction Cl- + CH3Br in water. JOURNAL OF MOLECULAR STRUCTURE. THEOCHEM, vol. 630, pp. 141-149, ISSN:0166-1280

MARCO PAGLIAI; SIMONE RAUGEI; G. CARDINI; VINCENZO SCHETTINO (2003). Car-Parrinello Molecular Dynamics on the SN2 reaction Cl- + CH3Br in water. JOURNAL OF MOLECULAR STRUCTURE. THEOCHEM, vol. 630, pp. 357-363, ISSN:0166-1280, Elsevier BV:PO Box 211, 1000 AE Amsterdam Netherlands:011 31 20 4853757, 011 31 20 4853642, 011 31 20 4853641, EMAIL: nlinfo-f@elsevier.nl, INTERNET: http://www.elsevier.nl, Fax: 011 31 20 4853598:

Chelli, Riccardo; Cardini, Gianni; Procacci, Piero; Righini, Roberto; Califano, Salvatore (2002). Molecular dynamics of glass-forming liquids: Structure and dynamics of liquid metatoluidine. THE JOURNAL OF CHEMICAL PHYSICS, vol. 116, pp. 6205-6215, ISSN:0021-9606 DOI Accesso ONLINE all'editore

G. CARDINI; M. MUNIZ-MIRANDA (2002). DENSITY FUNCTIONAL STUDY ON THE ADSORPTION OF PYRAZOLE ONTO SILVER COLLOIDAL PARTICLES. JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL, vol. 106, pp. 6875-6880, ISSN:1520-6106 DOI Accesso ONLINE all'editore

G. CARDINI; V. SCHETTINO; M. PAGLIAI; S. RAUGEI (2002). Thermal effects on the Cl- + ClCH2CN reaction by Car-Parrinello Molecular Dynamics. THE JOURNAL OF CHEMICAL PHYSICS, vol. 117, pp. 2199-2204, ISSN:0021-9606

V. SCHETTINO; M. PAGLIAI; G. CARDINI (2002). THE INFRARED AND RAMAN SPECTRA OF FULLERENE C70. DFT CALCULATIONS AND CORRELATION WITH C60. JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY, vol. 106, pp. 1815-1823, ISSN:1089-5639

G. Pietraperzia; M. Becucci; G. Cardini; M. Pasquini; E. Castellucci (2002). Structure and large amplitude motion in isolated molecules and van der Waals complexes studied by molecular beam high resolution electronic spectroscopy and ab initio calculations. In: XXXII Italian Meeting of Physical Chemistry Italian Electrochemistry Days 2002, Ferrara, 23-28 Giugno 2002, Paola Gilli, Università degli Studi di Ferrara, pp. PC1-O2-PC1-O2.

Pietraperzia, Giangaetano; Eisenhardt, G. Christopher; Becucci, Maurizio; Baumgartel, Helmut; Castellucci, Emilio; Califano, Salvatore; Cardini, Gianni; Chelli, Riccardo (2001). Anisole-CO2 a planar van der Waals complex: Comparison of different spectroscopic and theoretical results. In: XIX International Symposium on Molecular Beams, Roma, 3-8 Giugno 2001, Università La Sapienza, pp. 59-60.

M. PAGLIAI; SIMONE RAUGEI; GIANNI CARDINI; V. SCHETTINO (2001). Car-Parrinello molecular dynamics of the SN2 reaction Cl- + Cl2CH2. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, vol. 3, pp. 4870-4873, ISSN:1463-9076

Eisenhardt, G. Christopher; Gemechu, A. S.; Baumgartel, Helmut; Chelli, Riccardo; Cardini, Gianni; Califano, Salvatore (2001). Excited state photoelectron spectroscopy of anisole. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, vol. 3, pp. 5358-5368, ISSN:1463-9076 DOI Accesso ONLINE all'editore

M. PAGLIAI; S. RAUGEI; G. CARDINI; V. SCHETTINO (2001). AB-INITIO MOLECULAR DYNAMICS STUDY OF THE SN2 REACTION Cl- + ClCH2CN. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, vol. 3, pp. 2559-2566, ISSN:1463-9076

V. SCHETTINO; M. PAGLIAI; L. CIABINI; G. CARDINI (2001). The Vibrational Spectrum of fullerene C60. JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY, vol. 105, pp. 11192-11196, ISSN:1089-5639

Chelli, Riccardo; Cardini, Gianni; Ricci, Marilena; Bartolini, Paolo; Righini, Roberto; Califano, Salvatore (2001). The fast dynamics of benzene in the liquid phase. Part II. A molecular dynamics simulation. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, vol. 3, pp. 2803-2810, ISSN:1463-9076 DOI Accesso ONLINE all'editore

SIMONE RAUGEI; G. CARDINI; VINCENZO SCHETTINO (2001). Microsolvation effect on chemical reactivity: the case of Cl- + CH3Br SN2 reaction. THE JOURNAL OF CHEMICAL PHYSICS, vol. 114, pp. 4089-4098, ISSN:0021-9606 DOI Accesso ONLINE all'editore

Ricci, Marilena; Bartolini, Paolo; Chelli, Riccardo; Cardini, Gianni; Califano, Salvatore; Righini, Roberto (2001). The fast dynamics of benzene in the liquid phase. Part I. Optical Kerr effect experimental investigation. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, vol. 3, pp. 2795-2802, ISSN:1463-9076 DOI Accesso ONLINE all'editore

G. CARDINI; V. SCHETTINO; R. BINI; M. CAPECCHI (2001). THE VIBRATIONAL SPECTRA OF PHOSPHOROUS OXYNITRIDE AT HIGH PRESSURES. In: Capecchi, M; Bini, R; Cardini, G; Schettino, V. STUDIES IN SURFACE SCIENCE AND CATALYSIS vol. 140, pp. 103-109 Gamba, A; Colella, C; Coluccia, S, ISBN:0-444-50632-2.

FRANCESCO LUIGI GERVASIO; PIERO PROCACCI; GIANNI CARDINI; ANTONIO GUARNA; ALESSANDRO GIOLITTI; V. SCHETTINO (2000). Interaction between aromatic residues. Molecular dynamics and ab initio exploration of the potential energy surface of the tryptophan-histidine pair. JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY, vol. 104, pp. 1108-1114, ISSN:1089-5639 DOI

Chelli, Riccardo; Cardini, Gianni; Procacci, Piero; Righini, Roberto; Califano, Salvatore; Albrecht, Andreas (2000). Simulated structure, dynamics and vibrational spectra of liquid benzene. THE JOURNAL OF CHEMICAL PHYSICS, vol. 113, pp. 6851-6863, ISSN:0021-9606 DOI Accesso ONLINE all'editore

Chelli, Riccardo; Gervasio, L. Francesco; Gellini, Cristina; Procacci, Piero; Cardini, Gianni; Schettino, Vincenzo (2000). Density functional calculation of structural and vibrational properties of glycerol. JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY, vol. 104, pp. 5351-5357, ISSN:1089-5639 DOI Accesso ONLINE all'editore

Chelli, Riccardo; Ciabatti, Sonia; Cardini, Gianni; Righini, Roberto; Procacci, Piero (2000). Erratum: “Calculation of optical spectra in liquid methanol using molecular dynamics and the chemical potential equalization method” [J. Chem. Phys. 111, 4218 (1999)]. THE JOURNAL OF CHEMICAL PHYSICS, vol. 112, pp. 5515-5515, ISSN:0021-9606 DOI Accesso ONLINE all'editore

Chelli, Riccardo; Gervasio, L. Francesco; Gellini, Cristina; Procacci, Piero; Cardini, Gianni; Schettino, Vincenzo (2000). Conformational distribution of gas-phase glycerol. JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY, vol. 104, pp. 11220-11222, ISSN:1089-5639 DOI Accesso ONLINE all'editore

Chelli, Riccardo; Procacci, Piero; Cardini, Gianni; Califano, Salvatore (1999). Glycerol condensed phases part II. A molecular dynamics study of the conformational structure and hydrogen bonding. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, vol. 1, pp. 879-885, ISSN:1463-9076 DOI Accesso ONLINE all'editore

Chelli Riccardo; Ciabatti, Sonia; Cardini, Gianni; Righini, Roberto; Procacci, Piero (1999). Calculation of optical spectra in liquid methanol using molecular dynamics and the chemical potential equalization method. THE JOURNAL OF CHEMICAL PHYSICS, vol. 111, pp. 4218-4229, ISSN:0021-9606 DOI Accesso ONLINE all'editore

Simone, Raugei; Gianni, Cardini; Vincenzo, Schettino (1999). An ab-initio molecular dynamics study of the SN2 reaction Cl- + CH3Br -> CH3Cl + Br-. THE JOURNAL OF CHEMICAL PHYSICS, vol. 111, pp. 10887-10894, ISSN:0021-9606 DOI

Chelli, Riccardo; Procacci, Piero; Cardini, Gianni; Della Valle, G. Raffaele; Califano, Salvatore (1999). Glycerol condensed phases Part I. A molecular dynamics study. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, vol. 1, pp. 871-877, ISSN:1463-9076 DOI Accesso ONLINE all'editore

V.SCHETTINO; GERVASIO F.L.; G.CARDINI; P. SALVI (1999). Density functional calculation of structure and vibrational spectra of polyenes. THE JOURNAL OF CHEMICAL PHYSICS, vol. 110, pp. 3241-3250, ISSN:0021-9606

S. RAUGEI; G. CARDINI; V. SCHETTINO (1998). Intermolecular interactions in the N2 - N2 dimer. MOLECULAR PHYSICS, vol. 95, pp. 477-482, ISSN:0026-8976, Taylor & Francis Limited:Rankine Road, Basingstoke RG24 8PR United Kingdom:011 44 1256 813035, EMAIL: madeline.sims@tandf.co.uk, info@tandf.co.uk, INTERNET: http://www.tandf.co.uk, Fax: 011 44 1256 330245:

FL. GERVASIO; G. CARDINI; PR. SALVI; V. SCHETTINO (1998). The low-frequency vibrations of all-trans-retinal: far-infrared and Raman spectra and density functional calculations. JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY, vol. 102, pp. 2131-2136, ISSN:1089-5639, American Chemical Society:1155 Sixteenth Street Northwest:Washington, DC 20036:(800)227-5558, EMAIL: service@acs.org, INTERNET: http://www.pubs.acs.org, Fax: (614)447-3671:

S. RAUGEI; G. CARDINI; V. SCHETTINO; H.J. JODL (1998). A molecular dynamica simulation of the vibrational properties of the Ar1-x (N2)x crystal. THE JOURNAL OF CHEMICAL PHYSICS, vol. 109, pp. 6382-6389, ISSN:0021-9606

Chelli, Riccardo; Cardini, Gianni; Califano, Salvatore (1997). A molecular dynamics study of translational-rotation coupling in the NaCN plastic cystal. THE JOURNAL OF CHEMICAL PHYSICS, vol. 107, pp. 8041-8050, ISSN:0021-9606 DOI Accesso ONLINE all'editore

S. RAUGEI; G. CARDINI; V. SCHETTINO; H.J. JODL (1997). Orientational ordering in the mixed crystal Ar1-x (N2)x: a molecular dynamics study.. THE JOURNAL OF CHEMICAL PHYSICS, vol. 106, pp. 8196-8203, ISSN:0021-9606

Chelli, Riccardo; Cardini, Gianni; Califano, Salvatore (1997). Calculation of the elastic coherent neutron scattering spectra from molecular dynamics data: the NaCN plastic crystal. CHEMICAL PHYSICS LETTERS, vol. 274, pp. 335-340, ISSN:0009-2614 DOI Accesso ONLINE all'editore

A. VIGIANI; G. CARDINI; V. SCHETTINO (1997). A molecular dynamics study of the CO2 / NaCl(001) system.. THE JOURNAL OF CHEMICAL PHYSICS, vol. 106, pp. 5693-5705, ISSN:0021-9606, American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704:

G. Cardini; R. Bini; P. R. Salvi; V. Schettino; M. L. Klein; R. M. Strongin; L. Brard; A. B. Smith III (1994). Infrared spectrum of two fullerene derivatives: C60O and C61H2. THE JOURNAL OF PHYSICAL CHEMISTRY, vol. 98, pp. 9966-9971, ISSN:0022-3654

G. Cardini; M. Ricci; R. Righini; S. Califano (1994). A molecular dynamics simulation of the plastic phase (I) of cyclopentane. CHEMICAL PHYSICS, vol. 189, pp. 17-23, ISSN:0301-0104

V. SCHETTINO; PR. SALVI; R. BINI; G. CARDINI (1994). On the vibrational assignment of fullerene C60. THE JOURNAL OF CHEMICAL PHYSICS, vol. 101, pp. 11079-11081, ISSN:0021-9606, American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704:

G.Cardini;P.Procacci;P.Salvi;V.Schettino (1993). Molecular dynamics simulation of rare gas fullerene adducts. LOW TEMPERATURE PHYSICS, vol. 19, pp. 562-566, ISSN:1063-777X

Procacci, P.; Cardini, G.; Salvi, P.R. (1993). A vibrational potential function for molecular dynamics simulation of buckminsterfullerene. MOLECULAR CRYSTALS AND LIQUID CRYSTALS SCIENCE AND TECHNOLOGY. SECTION A, MOLECULAR CRYSTALS AND LIQUID CRYSTALS, vol. 229, pp. 75-81, ISSN:1058-725X DOI Accesso ONLINE all'editore

C. Gellini; G. Cardini; P. Salvi; G. Marconi; K. Hafner; (1993). The ground state of antiaromatic 1,3,5,7-tetra-t-butyl-s-indacene. THE JOURNAL OF PHYSICAL CHEMISTRY, vol. 97, pp. 1286-1293, ISSN:0022-3654

S. Labate; G. Cardini; R. Righini; S. Califano (1993). Molecular dynamics simulation of the plastic phase of 2-methyl-2-nitropropane. CHEMICAL PHYSICS, vol. 178, pp. 93-103, ISSN:0301-0104

P. PROCACCI; G. CARDINI; PR. SALVI; V. SCHETTINO (1992). Vibrational frequencies of C70. CHEMICAL PHYSICS LETTERS, vol. 195, pp. 347-351, ISSN:0009-2614

E. VENUTI; G. CARDINI; E. CASTELLUCCI (1992). A molecular-dynamics simulation of crystalline Sulfur-8.. CHEMICAL PHYSICS, vol. 165 (2-3), pp. 313-322, ISSN:0301-0104

P. PROCACCI; G. CARDINI; R. RIGHINI; S. CALIFANO (1992). Anharmonic lattice dynamics and computer simulation for simple model systems. PHYSICAL REVIEW. B, CONDENSED MATTER, vol. 45, pp. 2113-2125, ISSN:0163-1829, American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704:

G. CARDINI; R. RIGHINI; H. W. LOWEN; HANS J. JODL (1992). Sidebands modelling in molecular crystals N2 and CO2. THE JOURNAL OF CHEMICAL PHYSICS, vol. 96, pp. 5703-5711, ISSN:0021-9606, American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704:

E.Venuti;P.Salvi;G.Cardini (1992). An intramolecular potential for S8. JOURNAL OF MOLECULAR STRUCTURE, vol. 266, pp. 229-234, ISSN:0022-2860

G. CARDINI; V. SCHETTINO (1992). A molecular-dynamics study of the isotopic substitution effects on the lineshape of an internal mode in a molecular crystal. CHEMICAL PHYSICS LETTERS, vol. 200, pp. 552-558, ISSN:0009-2614, Elsevier BV:PO Box 211, 1000 AE Amsterdam Netherlands:011 31 20 4853757, 011 31 20 4853642, 011 31 20 4853641, EMAIL: nlinfo-f@elsevier.nl, INTERNET: http://www.elsevier.nl, Fax: 011 31 20 4853598:

G. CARDINI; P. PROCACCI; P. R. SALVI; V. SCHETTINO (1992). Vibrational properties of Xe-fullerenes adducts: a Molecular Dynamics approach. CHEMICAL PHYSICS LETTERS, vol. 200, pp. 39-45, ISSN:0009-2614, Elsevier BV:PO Box 211, 1000 AE Amsterdam Netherlands:011 31 20 4853757, 011 31 20 4853642, 011 31 20 4853641, EMAIL: nlinfo-f@elsevier.nl, INTERNET: http://www.elsevier.nl, Fax: 011 31 20 4853598:

G.Cardini; R.Righini; S.Califano (1991). Computer-Simulation Of The Dynamics Of The Plastic Phase Of Succinonitrile. THE JOURNAL OF CHEMICAL PHYSICS, vol. 95, pp. 679-685, ISSN:0021-9606

G. CARDINI; V. SCHETTINO (1991). Molecular Dynamics simulation of the vibrational properties of disordered N2O crystal: II nu1 mode. THE JOURNAL OF CHEMICAL PHYSICS, vol. 94, pp. 2502-2508, ISSN:0021-9606, American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704:

F. BOGANI; G. CARDINI; V. SCHETTINO (1991). Vibrational relaxation and dephasing of Fermi resonance states in molecular crystals. THE JOURNAL OF CHEMICAL PHYSICS, vol. 95, pp. 2523-2536, ISSN:0021-9606, American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704:

G. CARDINI; V. SCHETTINO (1990). Application of normal mode analysis in molecular dynamics simulations of model alkanes. CHEMICAL PHYSICS, vol. 146, pp. 147-153, ISSN:0301-0104, Elsevier BV:PO Box 211, 1000 AE Amsterdam Netherlands:011 31 20 4853757, 011 31 20 4853642, 011 31 20 4853641, EMAIL: nlinfo-f@elsevier.nl, INTERNET: http://www.elsevier.nl, Fax: 011 31 20 4853598:

G. CARDINI; V. SCHETTINO (1990). Molecular Dynamics simulation of the vibrational properties of disordered N2O crystal: I Lattice frequencies. THE JOURNAL OF CHEMICAL PHYSICS, vol. 93, pp. 1973-1980, ISSN:0021-9606, American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704:

F. BOGANI; G. CARDINI; V. SCHETTINO; PL. TASSELLI (1990). Vibrational relaxation and dephasing of two-phonon bound states in molecular crystals. PHYSICAL REVIEW. B, CONDENSED MATTER, vol. 42, pp. 2307-2324, ISSN:0163-1829, American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704:

E. Castellucci; M. Muniz-Miranda; G. Cardini (1990). Raman Intensities of Lattice Vibrations in 2,2'-Bipyridine Crystal. JOURNAL OF RAMAN SPECTROSCOPY, vol. 21, pp. 495-499, ISSN:0377-0486

G. CARDINI; P.R. SALVI; V. SCHETTINO; HANSJ. JODL (1989). Pressure tuning of Fermi resonance in crystal CO2: the solid state approach.. THE JOURNAL OF CHEMICAL PHYSICS, vol. 91, pp. 3869-3876, ISSN:0021-9606, American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704:

G. CARDINI; V. SCHETTINO; MICHAEL L. KLEIN (1989). Structure and Dynamics of carbon dioxide clusters: a Molecular Dynamics study. THE JOURNAL OF CHEMICAL PHYSICS, vol. 90, pp. 4441-4449, ISSN:0021-9606, American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704:

G. Cardini; P. R. Salvi; V. Schettino (1988). Biphonons in crystal N2O. CHEMICAL PHYSICS, vol. 119, pp. 241-251, ISSN:0301-0104

JAMES P. BAREMAN; G. CARDINI; MICHAEL L. KLEIN (1988). Characterization of Structural and Dynamical Behaviour in Monolayers of Long-Chain Molecules Using Molecular Dynamics Calculations. PHYSICAL REVIEW LETTERS, vol. 60, pp. 2152-2155, ISSN:0031-9007, American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704:

G. CARDINI; JAMES P. BAREMAN; MICHAEL L. KLEIN (1988). Characterization of a Langmuir-Blodgett Monolayer using Molecular Dynamics Calculations. CHEMICAL PHYSICS LETTERS, vol. 145, pp. 493-498, ISSN:0009-2614, Elsevier BV:PO Box 211, 1000 AE Amsterdam Netherlands:011 31 20 4853757, 011 31 20 4853642, 011 31 20 4853641, EMAIL: nlinfo-f@elsevier.nl, INTERNET: http://www.elsevier.nl, Fax: 011 31 20 4853598:

Gianni Cardini;Piero Procacci;Roberto Righini (1987). Molecular dynamics and anharmonic effects in the phonon spectra of solid carbon dioxide. CHEMICAL PHYSICS, vol. 117, pp. 355-366, ISSN:0301-0104 DOI

RAFFAELE GUIDO DELLA VALLE; G. CARDINI (1987). Recursive Computation of Many-Phonon Densities of States. PHYSICAL REVIEW LETTERS, vol. 59, pp. 2196-2198, ISSN:0031-9007, American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704:

F. Bogani; G. Cardini; V. Schettino; P. L. Tasselli (1987). Vibrational relaxation of two phonon bound statesin molecular crystals. In: J. Lascombe. Dynamics of Molecular Crystals, pp. 99-104, Amsterdam: Elsevier.

G. Cardini; G. F. Signorini; P. R. Salvi; R. Righini (1987). Molecular dynamics and head-tail disorder in the Raman spectrum of crystalline N2O. CHEMICAL PHYSICS LETTERS, vol. 142, pp. 570-574, ISSN:0009-2614

G. Cardini; P. R. Salvi; V. Schettino (1987). Anharmonic interactions and Fermi resonance in crystal CS2. CHEMICAL PHYSICS, vol. 117, pp. 341-353, ISSN:0301-0104

P.F. FRACASSI; G. CARDINI; SEAMUS F. O'SHEA; ROGER W. IMPEY; MICHAEL L. KLEIN (1986). Solid and Liquid Carbon Monoxide studied with the use of constant-pressure Molecular Dynamics. PHYSICAL REVIEW. B, CONDENSED MATTER, vol. 33, pp. 3441-3447, ISSN:0163-1829, American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704:

M. Rami Reddy; Seamus F. O'Shea; G. Cardini (1986). Analytical approximation to virial coefficients for pure and mixedsystems. MOLECULAR PHYSICS, vol. 57, pp. 84-856, ISSN:0026-8976

G. CARDINI; SEAMUS F. O'SHEA (1985). Molecular Dynamics in alpha-N2. PHYSICAL REVIEW. B, CONDENSED MATTER, vol. 32, pp. 2489-2495, ISSN:0163-1829, American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704:

G. CARDINI; SEAMUS F. O'SHEA (1985). Dynamics of a Monolayer of Nitrogen Physisorbed on Graphite. SURFACE SCIENCE, vol. 154, pp. 231-253, ISSN:0039-6028, Elsevier BV:PO Box 211, 1000 AE Amsterdam Netherlands:011 31 20 4853757, 011 31 20 4853642, 011 31 20 4853641, EMAIL: nlinfo-f@elsevier.nl, INTERNET: http://www.elsevier.nl, Fax: 011 31 20 4853598:

G. CARDINI; SEAMUS F. O'SHEA; MAURIZIO MARCHESE; MICHAELL. KLEIN (1985). Dispersion of Surface Phonons in Xenon Overlayers Physisorbed on the Ag (111) Surface. PHYSICAL REVIEW. B, CONDENSED MATTER, vol. 32, pp. 4261-4263, ISSN:0163-1829, American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704:

G. Cardini; Seamus F. O'Shea; Michael L. Klein (1985). Gas-Surface Potentials and the Dynamics of Overlayers. In: ROYAL CHEMISTRY SOCIETY. FARADAY DISCUSSIONS OF THE CHEMICAL SOCIETY, pp. 227-238 ROYAL CHEMISTRY SOCIETY. DOI Accesso ONLINE all'editore

G. CARDINI; V. SCHETTINO (1984). Raman Intensity of Lattice Vibration in Naphtalene. JOURNAL OF RAMAN SPECTROSCOPY, vol. 15, pp. 237-240, ISSN:0377-0486, John Wiley & Sons Limited:1 Oldlands Way, Bognor Regis, P022 9SA United Kingdom:011 44 1243 779777, EMAIL: cs-journals@wiley.co.uk, INTERNET: http://www.wiley.co.uk, Fax: 011 44 1243 843232:

G. CARDINI; SEAMUS F. O'SHEA (1984). Dynamics of registered solid xenon overlayers on graphite. PHYSICAL REVIEW. B, CONDENSED MATTER, vol. 30, pp. 7177-7181, ISSN:0163-1829, American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704:

G. CARDINI; V. SCHETTINO (1983). The HCl stretching vibration in HCl/DCl Mixed Crystal. MOLECULAR CRYSTALS AND LIQUID CRYSTALS, vol. 92, pp. L15-L22, ISSN:0026-8941, Gordon and Breach Science Publishers, London; New York: -Harwood Academic Publishers:29 W 35th Street:New York, NY 10001:(973)643-7500, Fax: (973)643-7676:

G. CARDINI; P. BAGLIONI; G. TADDEI (1982). Crystalline Structure of Condensed Films at Liquid Interfaces. CHEMICAL PHYSICS LETTERS, vol. 93, pp. 533-537, ISSN:0009-2614, Elsevier BV:PO Box 211, 1000 AE Amsterdam Netherlands:011 31 20 4853757, 011 31 20 4853642, 011 31 20 4853641, EMAIL: nlinfo-f@elsevier.nl, INTERNET: http://www.elsevier.nl, Fax: 011 31 20 4853598:

P. Baglioni; G. Cardini; G. Gabrielli; G. Taddei (1982). Hydrogen-bonded Two Dimensional Molecular Crystals atLiquid Interfaces. THE JOURNAL OF PHYSICAL CHEMISTRY, vol. 86, pp. 4684-4691, ISSN:0022-3654

G. CARDINI; P. BAGLIONI; G. TADDEI (1982). Virial Coefficient of Gas Monolayer. CHEMICAL PHYSICS LETTERS, vol. 87, pp. 18-22, ISSN:0009-2614, Elsevier BV:PO Box 211, 1000 AE Amsterdam Netherlands:011 31 20 4853757, 011 31 20 4853642, 011 31 20 4853641, EMAIL: nlinfo-f@elsevier.nl, INTERNET: http://www.elsevier.nl, Fax: 011 31 20 4853598:

Gianni CARDINI

Biography PhD in Chemistry (1989)

Gianni CARDINI

Curriculum

Gianni Cardini was born in Firenze il 17/07/1956. He obtained the Laurea in Chemistry from the University of Firenze the 17/07/1981.
From September 1983 to May 1985 he worked in the Chemistry department of the University of Lethbridge (Alberta, Canada) with Prof. S.F.O'Shea and from July 1987 to April 1988 in the Chemistry Departement of the Univerity of Pennsylvania with Prof. M.L. Klein.
Gianni Cardini obtained the PhD in Chemistry on September 1989.
He become Researcher in the Chemistry Department of the University of Firenze the 31st of May 1990.
From 1/02/2000 to 30/12/2004 has been Associate Professor in Chemical Physics, Department of Chemistry University of Firenze.
He has been elected president of the consiglio di corso di laurea in Chemistry for the period 2003-04/2005-06.
From 30/12/2004 is full Professor of Chemical Physics in the Chemistry department of the University of Florence.
From November 2007 to 2009 has been the coordinator of the PhD program in Chemistry. From April 2019 to 2012 president of the School of Mathematical, Physical and Natural Scienze