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51

Molecular Dynamics Simulations of the Self-Assembly of Tetraphenylporphyrin-Based Monolayers and Bilayers at a Silver Interface

Barone, Vincenzo, Casarin, Maurizio, Forrer, Daniel, Monti, Susanna, Prampolini, Giacomo

Journal:

The Journal of Physical Chemistry C

Year:

2011

Language:

english

File:

PDF, 1.28 MB

english, 2011

52

Chemical Detail Force Fields for Mesogenic Molecules

Cacelli, Ivo, Cimoli, Antonella, De Gaetani, Luca, Prampolini, Giacomo, Tani, Alessandro

Journal:

Journal of Chemical Theory and Computation

Year:

2009

Language:

english

File:

PDF, 3.34 MB

english, 2009

53

Structural, dynamic and photophysical properties of a fluorescent dye incorporated in an amorphous hydrophobic polymer bundle

De Mitri, N., Prampolini, G., Monti, S., Barone, V.

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 3.27 MB

english, 2014

54

Simulating DNA Hybridization on an Amine-Functionalized Silicon Substrate

Monti, Susanna, Cacelli, Ivo, Ferretti, Alessandro, Prampolini, Giacomo, Barone, Vincenzo

Journal:

Journal of Physical Chemistry B

Year:

2010

Language:

english

File:

PDF, 3.62 MB

english, 2010

55

Atomistic Computer Simulation and Experimental Study on the Dynamics of the n -Cyanobiphenyls Mesogenic Series

Cifelli, Mario, De Gaetani, Luca, Prampolini, Giacomo, Tani, Alessandro

Journal:

Journal of Physical Chemistry B

Year:

2008

Language:

english

File:

PDF, 1.26 MB

english, 2008

56

Liquid Crystal Properties of the n -Alkyl-cyanobiphenyl Series from Atomistic Simulations with Ab Initio Derived Force Fields

Cacelli, Ivo, De Gaetani, Luca, Prampolini, Giacomo, Tani, Alessandro

Journal:

Journal of Physical Chemistry B

Year:

2007

Language:

english

File:

PDF, 205 KB

english, 2007

57

Interactions of Nucleotide Bases with Decorated Si Surfaces from Molecular Dynamics Simulations

Monti, Susanna, Prampolini, Giacomo, Barone, Vincenzo

Journal:

The Journal of Physical Chemistry C

Year:

2011

Language:

english

File:

PDF, 7.45 MB

english, 2011

58

Modeling a Liquid Crystal Dynamics by Atomistic Simulation with an Ab Initio Derived Force Field

Gaetani, Luca De, Prampolini, Giacomo, Tani, Alessandro

Journal:

Journal of Physical Chemistry B

Year:

2006

Language:

english

File:

PDF, 120 KB

english, 2006

59

Geometry Optimization of Large and Flexible van der Waals Dimers: A Fragmentation−Reconstruction Approach

Cacelli, Ivo, Cimoli, Antonella, Prampolini, Giacomo

Journal:

Journal of Chemical Theory and Computation

Year:

2010

Language:

english

File:

PDF, 2.52 MB

english, 2010

60

Torsional Barriers and Correlations between Dihedrals in p -Polyphenyls

Cacelli, Ivo, Prampolini, Giacomo

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 76 KB

english, 2003

61

Structure–Properties Relationships in Triplet Ground State Organic Diradicals: A Computational Study

Barone, Vincenzo, Boilleau, Corentin, Cacelli, Ivo, Ferretti, Alessandro, Monti, Susanna, Prampolini, Giacomo

Journal:

Journal of Chemical Theory and Computation

Year:

2013

Language:

english

File:

PDF, 2.23 MB

english, 2013

62

DFT Study of the Torsional Potential in Ethylbenzene and Ethoxybenzene: The Smallest Prototypes of Alkyl− and Alkoxy−Aryl Mesogens

Cinacchi, G., Prampolini, G.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 106 KB

english, 2003

63

Parametrization and Validation of Coarse Grained Force-Fields Derived from ab Initio Calculations

Prampolini, Giacomo

Journal:

Journal of Chemical Theory and Computation

Year:

2006

Language:

english

File:

PDF, 305 KB

english, 2006

64

Deuterium and Carbon-13 NMR Study of a Banana Mesogen: Molecular Structure and Order

Dong, Ronald Y., Fodor-Csorba, K., Xu, J., Domenici, V., Prampolini, G., Veracini, C. A.

Journal:

Journal of Physical Chemistry B

Year:

2004

Language:

english

File:

PDF, 187 KB

english, 2004

65

Density Functional Theory Study of the Conformational Space of Phenyl Benzoate, a Common Fragment in Many Mesogenic Molecules

Cinacchi, Giorgio, Prampolini, Giacomo

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 114 KB

english, 2005

66

Organic Functionalization and Optimal Coverage of a Silicon(111) Surface in Solvent: A Computational Study

Barone, Vincenzo, Cacelli, Ivo, Ferretti, Alessandro, Monti, Susanna, Prampolini, Giacomo

Journal:

The Journal of Physical Chemistry C

Year:

2011

Language:

english

File:

PDF, 3.82 MB

english, 2011

67

Modified virtual orbitals for CI calculations of energy splitting in organic diradicals

Barone, Vincenzo, Cacelli, Ivo, Ferretti, Alessandro, Prampolini, Giacomo

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 773 KB

english, 2009

68

[IEEE Comput. Soc. Press [1992] Fifth Annual IEEE Symposium on Computer-Based Medical Systems - Durham, NC, USA (14-17 June 1992)] [1992] Proceedings Fifth Annual IEEE Symposium on Computer-Based Medical Systems - Multimedia perspectives for next generation PAC systems

Franchi, S., Imperato, M., Prampolini, F.

Year:

1992

Language:

english

File:

PDF, 197 KB

english, 1992

69

Computational study through atomistic potentials of a partial bilayer liquid crystal: structure and dynamics

De Gaetani, Luca, Prampolini, Giacomo

Journal:

Year:

2009

Language:

english

File:

PDF, 1.68 MB

english, 2009

70

Theoretical multilevel approach for studying the photophysical properties of organic dyes in solution

Barone, Vincenzo, Bloino, Julien, Monti, Susanna, Pedone, Alfonso, Prampolini, Giacomo

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 2.14 MB

english, 2010

71

Parameterization and validation of an accurate force-field for the simulation of alkylamine functionalized silicon (111) surfaces

Barone, Vincenzo, Cacelli, Ivo, Ferretti, Alessandro, Monti, Susanna, Prampolini, Giacomo

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.74 MB

english, 2010

72

Singlet–triplet energy gap of a diarylnitroxide diradical by an accurate many-body perturbative approach

Barone, Vincenzo, Cacelli, Ivo, Ferretti, Alessandro, Monti, Susanna, Prampolini, Giacomo

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.26 MB

english, 2011

73

DNA hybridization mechanism on silicon nanowires: a molecular dynamics approach

Monti, Susanna, Cacelli, Ivo, Ferretti, Alessandro, Prampolini, Giacomo, Barone, Vincenzo

Journal:

Molecular BioSystems

Year:

2010

Language:

english

File:

PDF, 3.65 MB

english, 2010

74

Computer Simulation of P-Phenyls with Interaction Potentials from Ab-Initio Calculations

Cacelli, I., Cinacchi, G., Geloni, C., Prampolini, G., Tani, A.

Journal:

Molecular Crystals and Liquid Crystals

Year:

2003

Language:

english

File:

PDF, 207 KB

english, 2003

75

Proton and Electron Transfer Mechanisms in the Formation of Neutral and Charged Quinhydrone-Like Complexes: A Multilayered Computational Study

Barone, Vincenzo, Cacelli, Ivo, Ferretti, Alessandro, Prampolini, Giacomo, Villani, Giovanni

Journal:

Journal of Chemical Theory and Computation

Year:

2014

Language:

english

File:

PDF, 4.80 MB

english, 2014

76

IDB: An image database system

Turtur, A., Prampolini, F., Fantini, M., Guarda, R., Imperato, M. A.

Journal:

IBM Journal of Research and Development

Year:

1991

Language:

english

File:

PDF, 743 KB

english, 1991

77

Structure and Dynamics of Ferrocyanide and Ferricyanide Anions in Water and Heavy Water: An Insight by MD Simulations and 2D IR Spectroscopy

Prampolini, Giacomo, Yu, Pengyun, Pizzanelli, Silvia, Cacelli, Ivo, Yang, Fan, Zhao, Juan, Wang, Jianping

Journal:

Journal of Physical Chemistry B

Year:

2014

Language:

english

File:

PDF, 7.47 MB

english, 2014

78

Calculation of the intermolecular energy of large molecules by a fragmentation scheme: Application to the 4-n-pentyl-4ʹ- cyanobiphenyl (5CB) dimer

Amovilli, Claudio, Cacelli, Ivo, Campanile, Silvio, Prampolini, Giacomo

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 460 KB

english, 2002

79

Stability of the nematic phase of 4-n-pentyl-4[sup ʹ]-cyanobiphenyl studied by computer simulation using a hybrid model

Cacelli, Ivo, Campanile, Silvio, Prampolini, Giacomo, Tani, Alessandro

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 343 KB

english, 2002

80

Accurate yet feasible post-Hartree–Fock computation of magnetic interactions in large biradicals through a combined variational/perturbative approach: Setup and validation

Barone, Vincenzo, Cacelli, Ivo, Ferretti, Alessandro, Prampolini, Giacomo

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 403 KB

english, 2009

81

Modeling benzene with single-site potentials from ab initio calculations: A step toward hybrid models of complex molecules

Cacelli, I., Cinacchi, G., Prampolini, G., Tani, A.

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 651 KB

english, 2004

82

How the Odd-Even Effects on the Inter-Molecular Potentials Propagate to the Order Parameter in the 4-Cyano-4′ n -Alkylbiphenyl Series

Cacelli, Ivo, Gaetani, Luca De, Prampolini, Giacomo, Tani, Alessandro

Journal:

Molecular Crystals and Liquid Crystals

Year:

2007

Language:

english

File:

PDF, 242 KB

english, 2007

83

Gluten sensitivity in monozygous twins: a long-term follow-up of five pairs

Bardella, Maria Teresa, Fredella, Clara, Prampolini, Luigia, Marino, Roberta, Conte, Dario, Giunta, Anna Maria

Journal:

American Journal of Gastroenterology

Year:

2000

Language:

english

File:

PDF, 38 KB

english, 2000

84

Perturbative Multireference Configuration Interaction (CI-MRPT2) Calculations in a Focused Dynamical Approach: A Computational Study of Solvatochromism in Pyrimidine

Cacelli, Ivo, Ferretti, Alessandro, Prampolini, Giacomo

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 2.90 MB

english, 2015

85

Need for follow up in coeliac disease.

Bardella, M T, Molteni, N, Prampolini, L, Giunta, A M, Baldassarri, A R, Morganti, D, Bianchi, P A

Journal:

Archives of Disease in Childhood

Year:

1994

Language:

english

File:

PDF, 615 KB

english, 1994

86

BALOO: A Fast and Versatile Code for Accurate Multireference Variational/Perturbative Calculations

Cacelli, Ivo, Ferretti, Alessandro, Prampolini, Giacomo, Barone, Vincenzo

Journal:

Journal of Chemical Theory and Computation

Year:

2015

Language:

english

File:

PDF, 1.84 MB

english, 2015

87

Silent Celiac Disease Is Frequent in the Siblings of Newly Diagnosed Celiac Patients

Bardella, Maria Teresa, Elli, Luca, Velio, Pietro, Fredella, Clara, Prampolini, Luigia, Cesana, Bruno

Journal:

Year:

2007

Language:

english

File:

PDF, 109 KB

english, 2007

88

Landslide susceptibility modeling assisted by Persistent Scatterers Interferometry (PSI): an example from the northwestern coast of Malta

Piacentini, Daniela, Devoto, Stefano, Mantovani, Matteo, Pasuto, Alessandro, Prampolini, Mariacristina, Soldati, Mauro

Journal:

Natural Hazards

Year:

2015

Language:

english

File:

PDF, 6.61 MB

english, 2015

89

Accuracy of Quantum Mechanically Derived Force-Fields Parameterized from Dispersion-corrected DFT data: the Benzene Dimer as Prototype for Aromatic Interactions

Prampolini, Giacomo, Livotto, Paolo Roberto, Cacelli, Ivo

Journal:

Journal of Chemical Theory and Computation

Year:

2015

Language:

english

File:

PDF, 5.98 MB

english, 2015

90

Modeling Solvent Broadening on the Vibronic Spectra of a Series of Coumarin Dyes. From Implicit to Explicit Solvent Models

Cerezo, Javier, Avila Ferrer, Francisco J., Prampolini, Giacomo, Santoro, Fabrizio

Journal:

Journal of Chemical Theory and Computation

Year:

2015

Language:

english

File:

PDF, 2.46 MB

english, 2015

91

Telomere length is independently associated with subclinical atherosclerosis in subjects with type 2 diabetes: a cross-sectional study

Spigoni, Valentina, Aldigeri, Raffaella, Picconi, Angela, Derlindati, Eleonora, Franzini, Laura, Haddoub, Silvia, Prampolini, Giorgia, Vigna, Giovanni B., Zavaroni, Ivana, Bonadonna, Riccardo C., Dei

Journal:

Acta Diabetologica

Year:

2016

Language:

english

File:

PDF, 584 KB

english, 2016

92

La formazione di Arrigo Serpieri e i problemi dell'agricoltura lombarda

Antonio Prampolini

Journal:

Year:

1976

Language:

italian

File:

PDF, 5.61 MB

italian, 1976

93

Comparing classical approaches with empirical or quantum-mechanically derived force fields for the simulation electronic lineshapes: application to coumarin dyes

Cerezo, Javier, Santoro, Fabrizio, Prampolini, Giacomo

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2016

Language:

english

File:

PDF, 1.42 MB

english, 2016

94

Does Breast Feeding Protect Against the Development of Clinical Symptoms of Celiac Disease in Children?

Auricchio, Salvatore, Follo, Daniela, Ritis, Giorgio de, Giunta, Annamaria, Marzorati, Donata, Prampolini, Luigia, Ansaldi, Nicoletta, Levi, Patrizia, DallʼOlio, Domenico, Bossi, Anna, Cortinovis, Iva

Journal:

Journal of Pediatric Gastroenterology & Nutrition

Year:

1983

File:

PDF, 2.70 MB

1983

95

Solvent-Induced Stereochemical Behavior of a Bile Acid-Based Biphenyl Phosphite: A Computational Study †

Cimoli, Antonella, Prampolini, Giacomo, Tani, Alessandro

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 1.86 MB

english, 2009

96

Magnetic Interactions in Phenyl-Bridged Nitroxide Diradicals: Conformational Effects by Multireference and Broken Symmetry DFT Approaches †

Barone, Vincenzo, Cacelli, Ivo, Cimino, Paola, Ferretti, Alessandro, Monti, Susanna, Prampolini, Giacomo

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 1.22 MB

english, 2009

97

Predicting light absorption properties of anthocyanidins in solution: a multi-level computational approach

Cacelli, Ivo, Ferretti, Alessandro, Prampolini, Giacomo

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2016

Language:

english

File:

PDF, 3.13 MB

english, 2016

98

Stefano Jacini e l'illusione agricolturista

Antonio Prampolini

Journal:

Year:

1977

Language:

italian

File:

PDF, 1.63 MB

italian, 1977

99

SPIE Proceedings [SPIE IS&T/SPIE's Symposium on Electronic Imaging: Science and Technology - San Jose, CA (Sunday 31 January 1993)] Storage and Retrieval for Image and Video Databases - Mass-storage management for distributed image/video archives

Franchi, Santina, Guarda, Roberto, Prampolini, Franco, Niblack, Carlton W.

Year:

1993

Language:

english

File:

PDF, 828 KB

english, 1993

100

SPIE Proceedings [SPIE SC - DL tentative - Santa Clara, CA (Thursday 8 February 1990)] Extracting Meaning from Complex Data: Processing, Display, Interaction - IDB: an integrated image database system on local area network

Turtur, Antonio, Fantini, Mario, Prampolini, Franco, Farrell, Edward J.

Year:

1990

Language:

english

File:

PDF, 566 KB

english, 1990