Search filters

List of works by Lorenzo Gontrani

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

scientific article published on 01 April 2016

Amino acid anions in organic ionic compounds. An ab initio study of selected ion pairs.

scientific article published on 19 February 2014

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

scientific article published in December 2009

Biologically friendly room temperature ionic liquids and nanomaterials for the development of innovative enzymatic biosensors: Part II

scientific article published on 05 October 2018

Choline Hydrogen Dicarboxylate Ionic Liquids by X-ray Scattering, Vibrational Spectroscopy and Molecular Dynamics: H-Fumarate and H-Maleate and Their Conformations

scientific article published on 28 October 2020

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

scientific article published on 23 April 2018

Cholinium-amino acid based ionic liquids: a new method of synthesis and physico-chemical characterization

scientific article published on 24 July 2015

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

scientific article published on 01 June 2018

Conformational isomerisms and nano-aggregation in substituted alkylammonium nitrates ionic liquids: an x-ray and computational study of 2-methoxyethylammonium nitrate

scientific article published on 01 May 2013

Coupled hydroxyl and ether functionalisation in EAN derivatives: the effect of hydrogen bond donor/acceptor groups on the structural heterogeneity studied with X-ray diffractions and fixed charge/polarizable simulations

scientific article published on 21 May 2019

Crystal polymorphism of hexylammonium chloride and structural properties of its mixtures with water

scientific article published on 09 February 2012

Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water

scientific article published on 26 September 2011

Dimerisation of urea in water solution: a quantum mechanical investigation

scientific article published on 01 March 2007

Does High Pressure Induce Structural Reorganization in Linear Alcohols? A Computational Answer

scientific article published on 05 August 2016

Excitonic Fine Structure in Emission of Linear Carbon Chains

scientific article published on 04 August 2020

FTIR spectra and density functional theory P.E.D. assignments of oxiranes in Ar matrix at 12 K.

scientific article

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

article

Highly Specific Silver Ion Detection by Fluorescent Carbon Quantum Dots

scientific article published in 2022

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

scientific article published on 12 February 2018

Inhomogeneity in Ethylammonium Nitrate-Acetonitrile Binary Mixtures: The Highest "Low q Excess" Reported to Date

scientific article published on 26 June 2017

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

scientific article published on June 2015

Interaction of a long alkyl chain protic ionic liquid and water.

scientific article published in May 2014

Intriguing transport dynamics of ethylammonium nitrate-acetonitrile binary mixtures arising from nano-inhomogeneity

scientific article published on 4 October 2017

Liquid structure of 1-alkyl-3-methylimidazolium-hexafluorophosphates by wide angle x-ray and neutron scattering and molecular dynamics

scientific article

Liquid structure of 1-ethyl-3-methylimidazolium alkyl sulfates by X-ray scattering and molecular dynamics.

scientific article

Liquid structure of trihexyltetradecylphosphonium chloride at ambient temperature: an X-ray scattering and simulation study

scientific article published on 01 July 2009

Mesoscopic structural organization in fluorinated room temperature ionic liquids

Microscopic Structural and Dynamic Features in Triphilic Room Temperature Ionic Liquids

scientific article published on 02 May 2019

NMR investigation of imidazolium-based ionic liquids and their aqueous mixtures.

scientific article

NMR, calorimetry, and computational studies of aqueous solutions of N-methyl-2-pyrrolidone

scientific article

Nanoscale Density Fluctuations in Ionic Liquid Binary Mixtures with Nonamphiphilic Compounds: First Experimental Evidence

scientific article published on 4 October 2016

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

scientific article published on 01 May 2018

New Experimental Evidences Regarding Conformational Equilibrium in Ammonium-Bis(trifluoromethanesulfonyl)imide Ionic Liquids

Overcoming the inadequacy of X-ray powder diffraction in reliable hydrogen location with the aid of first principles calculations: crystal structure determination of orotaldehyde monohydrate.

scientific article

Pressure-induced mesoscopic disorder in protic ionic liquids: first computational study

scientific article published on 01 January 2016

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

scientific article

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 = Mg

scientific article published on 31 October 2011

Structural and vibrational study of 2-MethoxyEthylAmmonium Nitrate (2-OMeEAN): Interpretation of experimental results with ab initio molecular dynamics.

scientific article published on July 2016

Structural properties of 1-alkyl-3-methylimidazolium bis{(trifluoromethyl)sulfonyl}amide ionic liquids: X-ray diffraction data and molecular dynamics simulations.

scientific article

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

scientific article published on 01 September 2015

Structure and dynamics of propylammonium nitrate-acetonitrile mixtures: An intricate multi-scale system probed with experimental and theoretical techniques

scientific article published on 01 April 2018

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

scientific article published on 8 June 2017

The interpretation of diffraction patterns of two prototypical protic ionic liquids: a challenging task for classical molecular dynamics simulations.

scientific article published on 18 October 2012

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

article

The structure of liquid N-methyl pyrrolidone probed by x-ray scattering and molecular simulations ⬇️

scientific article published on February 21, 2012

Theoretical study of ionic liquids based on the cholinium cation. Ab initio simulations of their condensed phases

scientific article published on 01 March 2016

Thermal and structural properties of ethylammonium chloride and its mixture with water.

scientific article published on 12 April 2011

Thermo-physical properties of ammonium-based ionic liquid + N -methyl-2-pyrrolidone mixtures at 298.15 K

article published in 2014

Two different models to predict ionic-liquid diffraction patterns: fixed-charge versus polarizable potentials

scientific article published on 30 October 2014

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

scientific article published on 24 April 2017

Water and hexane in an ionic liquid: computational evidence of association under high pressure.

scientific article published on 13 March 2017

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

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

scientific article published on 23 December 2016

Paulina is supported by:

About Paulina

Help