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1

Theoretical study of the conformational and optical properties of a fluorescent dye. A step toward modeling sensors grafted on polymer structures

Monti, Susanna, Cicogna, Francesca, Passaglia, Elisa, Prampolini, Giacomo, Barone, Vincenzo

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 3.03 MB

english, 2011

2

Gluten intolerance: Gender- and age-related differences in symptoms

Bardella, Maria Teresa, Fredella, Clara, Saladino, Valeria, Trovato, Cristina, Cesana, Bruno Mario, Quatrini, Maurizio, Prampolini, Luigia

Journal:

Scandinavian Journal of Gastroenterology

Year:

2005

Language:

english

File:

PDF, 78 KB

english, 2005

3

Intermolecular interactions in eumelanins: a computational bottom-up approach. I. small building blocks

Prampolini, Giacomo, Cacelli, Ivo, Ferretti, Alessandro

Journal:

Year:

2015

Language:

english

File:

PDF, 1.84 MB

english, 2015

4

Data-parallel lower-upper relaxation method for the Navier-Stokes equations

Wright, Michael J., Candler, Graham V., Prampolini, Marco

Journal:

Year:

1996

Language:

english

File:

PDF, 1010 KB

english, 1996

5

Late Quaternary coastal landscape morphology and evolution of the Maltese Islands (Mediterranean Sea) reconstructed from high-resolution seafloor data

Foglini, Federica, Prampolini, Mariacristina, Micallef, Aaron, Angeletti, Lorenzo, Vandelli, Vittoria, Deidun, Alan, Soldati, Mauro, Taviani, Marco

Journal:

Geological Society London Special Publications

Year:

2016

Language:

english

File:

PDF, 18.19 MB

english, 2016

6

Cosmogenic exposure dating constraints for coastal landslide evolution on the Island of Malta (Mediterranean Sea)

Soldati, Mauro, Barrows, Timothy T., Prampolini, Mariacristina, Fifield, Keith L.

Journal:

Journal of Coastal Conservation

Year:

2017

Language:

english

File:

PDF, 13.90 MB

english, 2017

7

Interaction energy landscapes of aromatic heterocycles through a reliable yet affordable computational approach.

Jacobs, Matheus, Greff da SIlveira, Leandro, Prampolini, Giacomo, Livotto, Paolo Roberto, Cacelli, Ivo

Journal:

Journal of Chemical Theory and Computation

Year:

2018

Language:

english

File:

PDF, 1.29 MB

english, 2018

8

Derivatives Hedging, Capital and Leverage

Prampolini, Andrea, Morini, Massimo

Journal:

SSRN Electronic Journal

Year:

2017

Language:

english

File:

PDF, 657 KB

english, 2017

9

Banana-Shaped Molecules Peculiarly Oriented in a Magnetic Field: 2H NMR Spectroscopy and Quantum Mechanical Calculations

Valentina Domenici, Carlo Alberto Veracini, Katalin Fodor-Csorba, Giacomo Prampolini, Ivo Cacelli, Andrjia Lebar, Boštjan Zalar

Journal:

Year:

2007

Language:

english

File:

PDF, 656 KB

english, 2007

10

Force-field modeling through quantum mechanical calculations: Molecular dynamics simulations of a nematogenic molecule in its condensed phases

Ivo Cacelli, Carlo Federico Lami, Giacomo Prampolini

Journal:

Journal of Computational Chemistry

Year:

2009

Language:

english

File:

PDF, 552 KB

english, 2009

11

An automated approach for the parameterization of accurate intermolecular force-fields: Pyridine as a case study

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

Journal:

Journal of Computational Chemistry

Year:

2012

Language:

english

File:

PDF, 1.10 MB

english, 2012

12

Advanced space transportation systems, BARGOUZIN booster

Marco Prampolini, Eric Louaas, Yves Prel, Sergey Kostromin, Nickolay Panichkin, Yuriy Sumin, Mikhail Osin, David Iranzo-Greus, Michel Rigault, André Beaurain, Jean-Noël Couteau

Journal:

Acta Astronautica

Year:

2008

Language:

english

File:

PDF, 2.44 MB

english, 2008

13

Development of the RFBB “Bargouzine” concept for Ariane-5 evolution

Yuriy Sumin, Sergey F. Kostromin, Nikolai Panichkin, Yves Prel, Mikhail Osin, David Iranzo-Greus, Marco Prampolini

Journal:

Acta Astronautica

Year:

2009

Language:

english

File:

PDF, 404 KB

english, 2009

14

DFT conformational study of banana-shaped mesogens

Ivo Cacelli, Giacomo Prampolini

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 638 KB

english, 2005

15

Intermediates of the PTC carbonylation of benzyl halides by cobalt carbonyls, II

Claudia Zucchi, Giulio Prampolini, Roland Boese, Luciano Caglioti, Howard Alper, Gyula Pályi

Journal:

Journal of Organometallic Chemistry

Year:

2011

Language:

english

File:

PDF, 410 KB

english, 2011

16

Magnetic investigations on some copper(II) N-acetyl- and N-benzoyl-alaninates

F. Cariati, L. Erre, G. Micera, L. Menabue, M. Saladini, P. Prampolini

Journal:

Inorganica Chimica Acta

Year:

1982

Language:

english

File:

PDF, 387 KB

english, 1982

17

Magnetic and spectroscopic behavior of amine adducts of copper(II)-N-acetyl-β-alaninate

Ledi Menabue, Paolo Prampolini, Monica Saladini, Paola Morini

Journal:

Inorganica Chimica Acta

Year:

1983

Language:

english

File:

PDF, 473 KB

english, 1983

18

Correlation decay for an intermittent area-preserving map

Roberto Artuso, Andrea Prampolini

Journal:

Physics Letters A

Year:

1998

Language:

english

File:

PDF, 466 KB

english, 1998

19

Bileteral pigmented paravenous retino-choroidal degeneration following measles

M. Peduzzi, F. Guerrieri, F. Torlai, M. L. Prampolini

Journal:

International Ophthalmology

Year:

1984

Language:

english

File:

PDF, 1.12 MB

english, 1984

20

Contrast sensitivity differences between strabismic and anisometropic amblyopia: objective correlate by means of visual evoked responses

Emilio C. Campos, Maria Luisa Prampolini, Rozanna Gulli

Journal:

Documenta Ophthalmologica

Year:

1984

Language:

english

File:

PDF, 230 KB

english, 1984

21

Structure and dynamics of mesogens using intermolecular potentials derived fromab initiocalculations

Claudio Amovilli, Ivo Cacelli, Giorgio Cinacchi, Luca De Gaetani, Giacomo Prampolini, Alessandro Tani

Journal:

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

Year:

2007

Language:

english

File:

PDF, 2.35 MB

english, 2007

22

Coordination properties of N-protected amino-acids: Simple and mixed (N-benzoyl-DL-leucinate)copper(II) complexes

Luciano Antolini, Ledi Menabue, Paolo Prampolini, Monica Saladini

Journal:

Inorganica Chimica Acta

Year:

1982

Language:

english

File:

PDF, 452 KB

english, 1982

23

Long-term remission in patients with dermatitis herpetiformis on a normal diet

M.T. Bardella, C. Fredella, C. Trovato, E. Ermacora, R. Cavalli, V. Saladino, L. Prampolini

Journal:

British Journal of Dermatology

Year:

2003

Language:

english

File:

PDF, 55 KB

english, 2003

24

Coeliac disease: a histological follow-up study

M T Bardella, P Velio, B M Cesana, L Prampolini, G Casella, C Di Bella, A Lanzini, M Gambarotti, G Bassotti, V Villanacci

Journal:

Year:

2007

Language:

english

File:

PDF, 1.18 MB

english, 2007

25

Complementary and partially complementary DNA duplexes tethered to a functionalized substrate: a molecular dynamics approach to biosensing

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

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 4.17 MB

english, 2011

26

Integrated computational approaches for spectroscopic studies of molecular systems in the gas phase and in solution: pyrimidine as a test case

Malgorzata Biczysko, Julien Bloino, Giuseppe Brancato, Ivo Cacelli, Chiara Cappelli, Alessandro Ferretti, Alessandro Lami, Susanna Monti, Alfonso Pedone, Giacomo Prampolini, Cristina Puzzarini, Fabriz

Journal:

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

Year:

2012

Language:

english

File:

PDF, 895 KB

english, 2012

27

Impact of Perioperative Haemodynamic Monitoring on Cardiac Morbidity after Major Vascular Surgery in Low Risk Patients. A Randomised Pilot Trial

M. Bonazzi, F. Gentile, G.M. Biasi, S. Migliavacca, D. Esposti, M. Cipolla, M. Marsicano, F. Prampolini, M. Ornaghi, S. Sternjakob, Y. Tshomba

Journal:

European Journal of Vascular and Endovascular Surgery

Year:

2002

Language:

english

File:

PDF, 148 KB

english, 2002

28

Anomalous Diffusion and Cage Effects in the Isotropic Phase of a Liquid Crystal

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

Journal:

Journal of Physical Chemistry B

Year:

2007

Language:

english

File:

PDF, 213 KB

english, 2007

29

Realistic Modeling of Fluorescent Dye-Doped Silica Nanoparticles: A Step Toward the Understanding of their Enhanced Photophysical Properties.

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

Journal:

Chemistry of Materials

Year:

2011

Language:

english

File:

PDF, 973 KB

english, 2011

30

Computer Simulation of Solid and Liquid Benzene with an Atomistic Interaction Potential Derived from ab Initio Calculations

Cacelli, Ivo, Cinacchi, Giorgio, Prampolini, Giacomo, Tani, Alessandro

Journal:

Journal of the American Chemical Society

Year:

2004

Language:

english

File:

PDF, 185 KB

english, 2004

31

Computational Design, Synthesis, and Mechanochromic Properties of New Thiophene-Based π-Conjugated Chromophores

Prampolini, Giacomo, Bellina, Fabio, Biczysko, Malgorzata, Cappelli, Chiara, Carta, Luciano, Lessi, Marco, Pucci , Andrea, Ruggeri, Giacomo, Barone, Vincenzo

Journal:

Chemistry - A European Journal

Year:

2013

Language:

english

File:

PDF, 946 KB

english, 2013

32

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

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

Journal:

American Journal of Gastroenterology

Year:

2000

Language:

english

File:

PDF, 38 KB

english, 2000

33

Atomistic Simulation of a Nematogen Using a Force Field Derived from Quantum Chemical Calculations

Cacelli, Ivo, Prampolini, Giacomo, Tani, Alessandro

Journal:

Journal of Physical Chemistry B

Year:

2005

Language:

english

File:

PDF, 207 KB

english, 2005

34

Joyce and Ulysses: integrated and user-friendly tools for the parameterization of intramolecular force fields from quantum mechanical data

Barone, Vincenzo, Cacelli, Ivo, De Mitri, Nicola, Licari, Daniele, Monti, Susanna, Prampolini, Giacomo

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 4.23 MB

english, 2013

35

Ternary complexes of copper(II) with N-protected amino-acids and N-methylimidazole. Crystal and molecular structures of bis(N-acetyl-?-alaninato)bis(N-methylimidazole)copper(II) dihydrate

Battaglia, Luigi Pietro, Corradi, Anna Bonamartini, Menabue, Ledi, Pellacani, Gian Carlo, Prampolini, Paolo, Saladini, Monica

Journal:

Journal of the Chemical Society Dalton Transactions

Year:

1982

Language:

english

File:

PDF, 563 KB

english, 1982

36

Sensors for DNA detection: theoretical investigation of the conformational properties of immobilized single-strand DNA

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

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 2.42 MB

english, 2009

37

An Integrated Protocol for the Accurate Calculation of Magnetic Interactions in Organic Magnets

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

Journal:

Journal of Chemical Theory and Computation

Year:

2011

Language:

english

File:

PDF, 2.34 MB

english, 2011

38

Notes. Magnetic and spectroscopic properties of dimeric copper(II)N-benzoylvalinates

Antolini, Luciano, Menabue, Ledi, Prampolini, Paolo, Saladini, Monica

Journal:

Journal of the Chemical Society Dalton Transactions

Year:

1982

Language:

english

File:

PDF, 380 KB

english, 1982

39

Conformational Effects on the Magnetic Properties of an Organic Diradical: A Computational Study

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

Journal:

Journal of Chemical Theory and Computation

Year:

2013

Language:

english

File:

PDF, 1.60 MB

english, 2013

40

Estimate of Benzene−Triphenylene and Triphenylene−Triphenylene Interactions: A Topic Relevant to Columnar Discotic Liquid Crystals

Cinacchi, Giorgio, Prampolini, Giacomo

Journal:

The Journal of Physical Chemistry C

Year:

2008

Language:

english

File:

PDF, 1.12 MB

english, 2008

41

Absorption and emission spectra of fluorescent silica nanoparticles from TD-DFT/MM/PCM calculations

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

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.30 MB

english, 2011

42

Intermolecular Force Fields of Large Molecules by the Fragmentation Reconstruction Method (FRM): Application to a Nematic Liquid Crystal

Bizzarri, Marco, Cacelli, Ivo, Prampolini, Giacomo, Tani, Alessandro

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 195 KB

english, 2004

43

Ultrasound-Guided Fine-Needle Capillary Biopsy of Thyroid Nodules, Coupled with On-Site Cytologic Review, Improves Results

Ceresini, G., Corcione, L., Morganti, S., Milli, B., Bertone, L., Prampolini, R., Petrazzoli, S., Saccani, M., Ceda, G.P., Valenti, G.

Journal:

Year:

2004

Language:

english

File:

PDF, 116 KB

english, 2004

44

[American Institute of Aeronautics and Astronautics 12th Computational Fluid Dynamics Conference - San Diego,CA,U.S.A. (19 June 1995 - 22 June 1995)] 12th Computational Fluid Dynamics Conference - A data-parallel LU relaxation method for the Navier-Stokes equations

Wright, Michael, Candler, Graham, Prampolini, Marco

Year:

1995

Language:

english

File:

PDF, 862 KB

english, 1995

45

Absorption and Emission Spectra of a Flexible Dye in Solution: A Computational Time-Dependent Approach

De Mitri, Nicola, Monti, Susanna, Prampolini, Giacomo, Barone, Vincenzo

Journal:

Journal of Chemical Theory and Computation

Year:

2013

Language:

english

File:

PDF, 864 KB

english, 2013

46

Parametrization and Validation of Intramolecular Force Fields Derived from DFT Calculations

Cacelli, Ivo, Prampolini, Giacomo

Journal:

Journal of Chemical Theory and Computation

Year:

2007

Language:

english

File:

PDF, 420 KB

english, 2007

47

Long-term follow-up of dermatitis herpetiformis in children

Ermacora, Elisa, Prampolini, Luigia, Tribbia, Giuliana, Pezzoli, Gabriella, Gelmetti, Carlo, Cucchi, Gabriella, Tettamanti, Alberto, Giunta, Annamaria, Gianotti, Ferdinando

Journal:

Journal of the American Academy of Dermatology

Year:

1986

Language:

english

File:

PDF, 896 KB

english, 1986

48

Evidences of long lived cages in functionalized polymers: Effects on chromophore dynamic and spectroscopic properties

Prampolini, Giacomo, Monti, Susanna, De Mitri, Nicola, Barone, Vincenzo

Journal:

Chemical Physics Letters

Year:

2014

Language:

english

File:

PDF, 787 KB

english, 2014

49

Computational Screening of Weak Hydrogen Bond Networks: Predicting Stable Structures for Difluoromethane Oligomers

Prampolini, Giacomo, Carbonaro, Laura, Feng, Gang, Evangelisti, Luca, Caminati, Walther, Cacelli, Ivo

Journal:

Journal of Chemical Theory and Computation

Year:

2014

Language:

english

File:

PDF, 2.05 MB

english, 2014

50

Extension of the AMBER Force Field for Nitroxide Radicals and Combined QM/MM/PCM Approach to the Accurate Determination of EPR Parameters of DMPO-H in Solution

Hermosilla, Laura, Prampolini, Giacomo, Calle, Paloma, García de la Vega, José Manuel, Brancato, Giuseppe, Barone, Vincenzo

Journal:

Journal of Chemical Theory and Computation

Year:

2013

Language:

english

File:

PDF, 1.48 MB

english, 2013

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