Gontrani, L.: search on Z-Library

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1

New Insights into the Structure of Glycols and Derivatives: A Comparative X-Ray Diffraction, Raman and Molecular Dynamics Study of Ethane-1,2-Diol, 2-Methoxyethan-1-ol and 1,2-Dimethoxy Ethane

Gontrani, Lorenzo, Tagliatesta, Pietro, Agresti, Antonio, Pescetelli, Sara, Carbone, Marilena

Journal:

Year:

2020

File:

PDF, 11.16 MB

2020

2

Self-Assembly of Catecholic Moiety-Containing Cationic Random Acrylic Copolymers

Taresco, Vincenzo, Gontrani, Lorenzo, Crisante, Fernanda, Francolini, Iolanda, Martinelli, Andrea, D’Ilario, Lucio, Bordi, Federico, Piozzi, Antonella

Journal:

Journal of Physical Chemistry B

Year:

2015

Language:

english

File:

PDF, 6.69 MB

english, 2015

3

A new electrochemical sensor for extra-virgin olive oils classification

Zappi, D., Sadun, C., Gontrani, L., Dini, D., Antonelli, M.L.

Journal:

Year:

2020

Language:

english

File:

PDF, 1.35 MB

english, 2020

4

Choline-amino acid ionic liquids: past and recent achievements about the structure and properties of these really “green” chemicals

Gontrani, Lorenzo

Journal:

Biophysical Reviews

Year:

2018

Language:

english

File:

PDF, 638 KB

english, 2018

5

New insights into chloromethyl-oxirane and chloromethyl-thiirane in liquid and solid phase from low-temperature infrared spectroscopy and ab initio modeling

Palumbo, O., Paolone, A., Campetella, M., Ramondo, F., Cappelluti, F., Gontrani, L.

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2021

File:

PDF, 3.03 MB

2021

6

Nanoscale organization in the fluorinated room temperature ionic liquid: Tetraethyl ammonium (trifluoromethanesulfonyl)(nonafluorobutylsulfonyl)imide

Lo Celso, F., Appetecchi, G. B., Jafta, C. J., Gontrani, L., Canongia Lopes, J. N., Triolo, A., Russina, O.

Journal:

The Journal of Chemical Physics

Year:

2018

Language:

english

File:

PDF, 31.57 MB

english, 2018

7

Structural Determination of Ionic Liquids with Theoretical Methods: C 8 mimBr and C 8 mimCl. Strength and Weakness of Current Force Fields

Bodo, E., Gontrani, L., Triolo, A., Caminiti, R.

Journal:

The Journal of Physical Chemistry Letters

Year:

2010

Language:

english

File:

PDF, 1.91 MB

english, 2010

8

Low-Q peak in X-ray patterns of choline-phenylalanine and -homophenylalanine: A combined effect of chain and stacking

Campetella, Marco, Martino, Delia Chillura, Scarpellini, Eleonora, Gontrani, Lorenzo

Journal:

Chemical Physics Letters

Year:

2016

Language:

english

File:

PDF, 1.29 MB

english, 2016

9

X-Ray structure and ionic conductivity studies of anhydrous and hydrated choline chloride and oxalic acid deep eutectic solvents

Gontrani, Lorenzo, Bonomo, Matteo, Plechkova, Natalia V., Dini, Danilo, Caminiti, Ruggero

Journal:

Physical Chemistry Chemical Physics

Year:

2018

Language:

english

File:

PDF, 2.32 MB

english, 2018

10

Synthesis, Biological Evaluation, and Molecular Modeling Studies of Rebeccamycin Analogues Modified in the Carbohydrate Moiety

Fabio Animati, Marco Berettoni, Mario Bigioni, Monica Binaschi, Patrizia Felicetti, Lorenzo Gontrani, Ottaviano Incani, Andrea Madami, Edith Monteagudo, Lauso Olivieri, Stefano Resta, Cristina Rossi,

Journal:

Year:

2008

Language:

english

File:

PDF, 657 KB

english, 2008

11

Liquid Structure of Trihexyltetradecylphosphonium Chloride at Ambient Temperature: An X-ray Scattering and Simulation Study

Gontrani, Lorenzo, Russina, Olga, Celso, Fabrizio Lo, Caminiti, Ruggero, Annat, Gary, Triolo, Alessandro

Journal:

Journal of Physical Chemistry B

Year:

2009

Language:

english

File:

PDF, 2.92 MB

english, 2009

12

Hydration of diazoles in water solution: pyrazole. A theoretical and X-ray diffraction study

Ramondo, Fabio, Tanzi, Luana, Campetella, Marco, Gontrani, Lorenzo, Mancini, Giordano, Pieretti, Andrea, Sadun, Claudia

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.31 MB

english, 2009

13

Structural Flexibility and Role of Vicinal 2-Thienyl Rings in 2,3-Dicyano-5,6-di(2-thienyl)-1,4-pyrazine, [(CN)2Th2Pyz], Its Palladium(II) Complex [(CN)2Th2Pyz(PdCl2)2], and the Related Pentametallic Pyrazinoporphyrazines [(PdCl2)4Th8TPyzPzM] (M = MgII(H2O), ZnII)

De Mori, Giorgia, Viola, Elisa, Ercolani, Claudio, Bodo, Enrico, Mannina, Luisa, Donzello, Maria Pia, Capitani, Donatella, Rizzoli, Corrado, Gontrani, Lorenzo, Aquilanti, Giuliana

Journal:

Inorganic Chemistry

Year:

2011

Language:

english

File:

PDF, 960 KB

english, 2011

14

Communication: Anion-specific response of mesoscopic organization in ionic liquids upon pressurization

Lo Celso, Fabrizio, Triolo, Alessandro, Gontrani, Lorenzo, Russina, Olga

Journal:

The Journal of Chemical Physics

Year:

2018

Language:

english

File:

PDF, 1.21 MB

english, 2018

15

Correction to “Liquid Structure of 1-Ethyl-3-methylimidazolium Alkyl Sulfates by X-ray Scattering and Molecular Dynamics”

Macchiagodena, Marina, Ramondo, Fabio, Triolo, Alessandro, Gontrani, Lorenzo, Caminiti, Ruggero

Journal:

Journal of Physical Chemistry B

Year:

2013

File:

PDF, 110 KB

2013

16

Liquid Structure of 1-Ethyl-3-methylimidazolium Alkyl Sulfates by X-ray Scattering and Molecular Dynamics

Macchiagodena, Marina, Ramondo, Fabio, Triolo, Alessandro, Gontrani, Lorenzo, Caminiti, Ruggero

Journal:

Journal of Physical Chemistry B

Year:

2012

Language:

english

File:

PDF, 4.30 MB

english, 2012

17

Hydrogen Bonding Features in Cholinium-Based Protic Ionic Liquids From Molecular Dynamics Simulations

Campetella, Marco, Le Donne, Andrea, Daniele, Maddalena, Leonelli, Francesca, Gontrani, Lorenzo, Lupi, Stefano, Bodo, Enrico

Journal:

Journal of Physical Chemistry B

Year:

2018

Language:

english

File:

PDF, 2.50 MB

english, 2018

18

An energy dispersive x-ray scattering and molecular dynamics study of liquid dimethyl carbonate

Gontrani, Lorenzo, Russina, Olga, Marincola, Flaminia Cesare, Caminiti, Ruggero

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.22 MB

english, 2009

19

Two Different Models to Predict Ionic-Liquid Diffraction Patterns: Fixed-Charge versus Polarizable Potentials

Campetella, Marco, Gontrani, Lorenzo, Leonelli, Francesca, Bencivenni, Luigi, Caminiti, Ruggero

Journal:

Year:

2015

Language:

english

File:

PDF, 1.47 MB

english, 2015

20

Computational methods applied to the discovery of stem cell factor ligands

Stefano Alcaro, Lorenzo Gontrani, Ottaviano Incani, Francesco Ortuso

Journal:

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

Year:

2008

Language:

english

File:

PDF, 825 KB

english, 2008

21

Crystal Polymorphism of Hexylammonium Chloride and Structural Properties of Its Mixtures with Water

Migliorati, Valentina, Ballirano, Paolo, Gontrani, Lorenzo, Caminiti, Ruggero

Journal:

Journal of Physical Chemistry B

Year:

2012

File:

PDF, 99 KB

2012

22

Unexpected proton mobility in the bulk phase of cholinium-based ionic liquids: new insights from theoretical calculations

Campetella, Marco, Montagna, Maria, Gontrani, Lorenzo, Scarpellini, Eleonora, Bodo, Enrico

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 1.24 MB

english, 2017

23

The Opposite Effect of Water and N-Methyl-2-Pyrrolidone Cosolvents on The Nanostructural Organization of Ethylammoniumbutanoate Ionic Liquid: a Small and Wide Angle X-Ray Scattering and Molecular Dynamics Simulations Study

Salma, Umme, Plechkova, Natalia V, Caminiti, Ruggero, Gontrani, Lorenzo

Journal:

Journal of Physical Chemistry B

Year:

2017

Language:

english

File:

PDF, 2.41 MB

english, 2017

24

Hydrogen bonding in barbituric and 2-thiobarbituric acids: a theoretical and FT-IR study

Fabio Ramondo, Andrea Pieretti, Lorenzo Gontrani, Luigi Bencivenni

Journal:

Chemical Physics

Year:

2001

Language:

english

File:

PDF, 192 KB

english, 2001

25

Molecular aggregation phenomena in solution: an energy dispersive X-ray diffraction study of concentrated imidazole water solutions

Lorenzo Gontrani, Ruggero Caminiti, Luigi Bencivenni, Claudia Sadun

Journal:

Chemical Physics Letters

Year:

1999

Language:

english

File:

PDF, 159 KB

english, 1999

26

[Soft and Biological Matter] The Structure of Ionic Liquids ||

Caminiti, Ruggero, Gontrani, Lorenzo

Year:

2014

Language:

english

File:

PDF, 5.37 MB

english, 2014

27

[Soft and Biological Matter] The Structure of Ionic Liquids || Raman Spectroscopy in Ionic Liquids Under Variable Thermodynamic and Environmental Conditions

Caminiti, Ruggero, Gontrani, Lorenzo

Year:

2014

Language:

english

File:

PDF, 1.33 MB

english, 2014

28

[Soft and Biological Matter] The Structure of Ionic Liquids || Structural Characterization of Ionic Liquids by X-Ray Absorption Spectroscopy

Caminiti, Ruggero, Gontrani, Lorenzo

Year:

2014

Language:

english

File:

PDF, 1.22 MB

english, 2014

29

X-ray and molecular dynamics studies of butylammonium butanoate–water binary mixtures

Salma, Umme, Usula, Marianna, Caminiti, Ruggero, Gontrani, Lorenzo, Plechkova, Natalia V., Seddon, Kenneth R.

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 2.72 MB

english, 2017

30

Physical-chemical studies on putrescine (butane-1,4-diamine) and its solutions: Experimental and computational investigations

Campetella, M., Cappelluti, F., Fasolato, C., Conte, D., Palumbo, O., Paolone, A., Carbone, M., Postorino, P., Gontrani, L.

Journal:

Journal of Molecular Liquids

Year:

2020

File:

PDF, 1.57 MB

2020

31

Glycine and alanine: a theoretical study of solvent effects upon energetics and molecular response properties

L. Gontrani, B. Mennucci, J. Tomasi

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2000

Language:

english

File:

PDF, 195 KB

english, 2000

32

UV−Vis Spectra of the Anticancer Campothecin Family Drugs in Aqueous Solution: Specific Spectroscopic Signatures Unraveled by a Combined Computational and Experimental Study

Sanna, Nico, Chillemi, Giovanni, Gontrani, Lorenzo, Grandi, Andrea, Mancini, Giordano, Castelli, Silvia, Zagotto, Giuseppe, Zazza, Costantino, Barone, Vincenzo, Desideri, Alessandro

Journal:

Journal of Physical Chemistry B

Year:

2009

Language:

english

File:

PDF, 248 KB

english, 2009

33

Micro- and mesoscopic structural features of a bio-based choline-amino acid ionic liquid.

Russina, Olga, De Santis, Serena, Gontrani, Lorenzo

Journal:

Year:

2016

Language:

english

File:

PDF, 1.25 MB

english, 2016

34

A Combined Theoretical and Experimental Study of Solid Octyl and Decylammonium Chlorides and of Their Aqueous Solutions

Migliorati, Valentina, Ballirano, Paolo, Gontrani, Lorenzo, Materazzi, Stefano, Ceccacci, Francesca, Caminiti, Ruggero

Journal:

Journal of Physical Chemistry B

Year:

2013

Language:

english

File:

PDF, 2.00 MB

english, 2013

35

Choline salicylate ionic liquid by X-ray scattering, vibrational spectroscopy and molecular dynamics

Tanzi, Luana, Nardone, Michele, Benassi, Paola, Ramondo, Fabio, Caminiti, Ruggero, Gontrani, Lorenzo

Journal:

Journal of Molecular Liquids

Year:

2016

Language:

english

File:

PDF, 1.92 MB

english, 2016

36

Excitonic Fine Structure in Emission of Linear Carbon Chains

Kutrovskaya, Stella, Osipov, Anton, Baryshev, Stepan, Zasedatelev, Anton, Samyshkin, Vladislav, Demirchyan, Sevak, Pulci, Olivia, Grassano, Davide, Gontrani, Lorenzo, Hartmann, Richard Rudolph, Portno

Journal:

Year:

2020

File:

PDF, 4.89 MB

2020

37

A study of cyclohexane, piperidine and morpholine with X-ray diffraction and molecular simulations

Lorenzo Gontrani, Fabio Ramondo, Giulio Caracciolo, Ruggero Caminiti

Journal:

Journal of Molecular Liquids

Year:

2008

Language:

english

File:

PDF, 625 KB

english, 2008

38

The structural organization of N-methyl-2-pyrrolidone + water mixtures: A densitometry, x-ray diffraction, and molecular dynamics study

Usula, M., Mocci, F., Marincola, F. Cesare, Porcedda, S., Gontrani, L., Caminiti, R.

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.74 MB

english, 2014

39

Structural studies on choline-carboxylate bio-ionic liquids by x-ray scattering and molecular dynamics

Tanzi, Luana, Ramondo, Fabio, Caminiti, Ruggero, Campetella, Marco, Di Luca, Andrea, Gontrani, Lorenzo

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 3.68 MB

english, 2015

40

Is a medium-range order pre-peak possible for ionic liquids without an aliphatic chain?

M. Campetella, S. De Santis, R. Caminiti, P. Ballirano, C. Sadun, L. Tanzi, L. Gontrani

Year:

2015

Language:

english

File:

PDF, 789 KB

english, 2015

41

A new insight into the nanostructure of Alkylammonium alkanoates based ionic liquids in water

Salma, Umme, Ballirano, Paolo, Usula, Marianna, Caminiti, Ruggero, Plechkova, Natalia V, Seddon, Kenneth R., Gontrani, Lorenzo

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 1.29 MB

english, 2016

42

New pyran-based molecules as both n- and p-type sensitizers in semi-transparent Dye Sensitized Solar Cells

Bonomo, Matteo, Carella, Antonio, Borbone, Fabio, Rosato, Luisa, Dini, Danilo, Gontrani, Lorenzo

Journal:

Dyes and Pigments

Year:

2020

File:

PDF, 1.91 MB

2020

43

Dendrimer crown-ether tethered multi-wall carbon nanotubes support methyltrioxorhenium in the selective oxidation of olefins to epoxides

Bizzarri, Bruno Mattia, Fanelli, Angelica, Botta, Lorenzo, Sadun, Claudia, Gontrani, Lorenzo, Ferella, Francesco, Crucianelli, Marcello, Saladino, Raffaele

Journal:

Year:

2020

File:

PDF, 860 KB

2020

44

Erratum to “FTIR spectra and density functional theory P.E.D. assignments of oxiranes in Ar matrix at 12K” [Spectrochim. Acta A: Mol. Biomol. Spectrosc. 120 (2014) 558–567]

Gontrani, L., Nunziante Cesaro, S., Stranges, S., Bencivenni, L., Pieretti, A.

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2014

File:

PDF, 165 KB

2014

45

Thermal and Structural Properties of Ethylammonium Chloride and Its Mixture with Water

Migliorati, Valentina, Ballirano, Paolo, Gontrani, Lorenzo, Triolo, Alessandro, Caminiti, Ruggero

Journal:

Journal of Physical Chemistry B

Year:

2011

Language:

english

File:

PDF, 4.70 MB

english, 2011

46

Chloromethyl-oxirane and chloromethyl-thiirane in liquid phase: A joint experimental and quantum chemical study

Campetella, M., Bencivenni, L., Caminiti, R., Zazza, C., Di Trapani, S., Martino, A., Gontrani, L.

Journal:

Chemical Physics

Year:

2016

Language:

english

File:

PDF, 1.10 MB

english, 2016

47

A joint experimental and computational study on ethylammonium nitrate-ethylene glycol 1:1 mixture. Structural, kinetic, dynamic and spectroscopic properties

Mariani, Alessandro, Campetella, Marco, Fasolato, Claudia, Daniele, Maddalena, Capitani, Francesco, Bencivenni, Luigi, Postorino, Paolo, Lupi, Stefano, Caminiti, Ruggero, Gontrani, Lorenzo

Journal:

Journal of Molecular Liquids

Year:

2016

Language:

english

File:

PDF, 965 KB

english, 2016

48

Interaction and dynamics of ionic liquids based on choline and amino acid anions

Campetella, M., Bodo, E., Caminiti, R., Martino, A., D’Apuzzo, F., Lupi, S., Gontrani, L.

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 5.72 MB

english, 2015

49

Energy dispersive X-ray diffraction and molecular dynamics meet: The structure of liquid pyrrole

Lorenzo Gontrani, Fabio Ramondo, Ruggero Caminiti

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 395 KB

english, 2006

50

Selected chemical–physical properties and structural heterogeneities in 1-ethyl-3-methylimidazolium alkyl-sulfate room temperature ionic liquids

Olga Russina, Lorenzo Gontrani, Barbara Fazio, Domenico Lombardo, Alessandro Triolo, Ruggero Caminiti

Journal:

Chemical Physics Letters

Year:

2010

Language:

english

File:

PDF, 366 KB

english, 2010

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