X-ray powder diffraction structure reinvestigation of the α and β forms of cobalt phthalocyanine and kinetics of the α→ β phase transition

P Ballirano, R Caminiti, C Ercolani… - Journal of the …, 1998 - ACS Publications
The structures of the acid-paste-prepared α-form of cobalt phthalocyanine (α-PcCo) and of
its corresponding β-form (β-PcCo) have been refined through X-ray powder diffraction using …

Rietveld refinements on laboratory energy dispersive X-ray diffraction (EDXD) data

P Ballirano, R Caminiti - Journal of Applied Crystallography, 2001 - scripts.iucr.org
Rietveld refinements of corundum, a rutile and anatase nanocrystalline synthetic mixture,
and gypsum, on laboratory energy dispersive X-ray diffraction (EDXD) data are reported …

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

M Campetella, E Bodo, R Caminiti, A Martino… - The Journal of …, 2015 - pubs.aip.org
The combination of amino acid anions with the choline cation gives origin to a new and
potentially important class of organic ionic liquids that might represent a viable and bio …

Hydrogen bonding features in cholinium-based protic ionic liquids from molecular dynamics simulations

M Campetella, A Le Donne, M Daniele… - The Journal of …, 2018 - ACS Publications
We explore the structure of a series of protic Ionic Liquids based on the choline cation and
amino acid anions. In the series, the length and the branching of the amino acid alkyl chain …

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

L Gontrani, E Bodo, A Triolo, F Leonelli… - The Journal of …, 2012 - ACS Publications
In this study, we discuss the performance of classical molecular dynamics in predicting the
experimental X-ray diffraction patterns of liquid ethylammonium nitrate (one of the simplest …

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

M Campetella, M Montagna, L Gontrani… - Physical Chemistry …, 2017 - pubs.rsc.org
We have explored by means of ab initio molecular dynamics two ionic liquids based on the
combination of a choline cation with deprotonated cysteine and aspartic acid anions. While …

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

M Campetella, E Bodo, M Montagna… - The Journal of …, 2016 - pubs.aip.org
We have explored by means of ab initio molecular dynamics the homologue series of 11
different ionic liquids based on the combination of the cholinium cation with deprotonated …

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

M Campetella, S De Santis, R Caminiti, P Ballirano… - RSC Advances, 2015 - pubs.rsc.org
The combination of amino acids anions with a choline cation gives origin to a new and
potentially important class of organic ionic liquids that might represent a viable and bio …

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

M Usula, F Mocci, FC Marincola, S Porcedda… - The Journal of …, 2014 - pubs.aip.org
A combined approach of molecular dynamics simulations, wide angle X-ray scattering
experiments, and density measurements was employed to study the structural properties of …

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

O Russina, S De Santis, L Gontrani - RSC advances, 2016 - pubs.rsc.org
High energy X-ray diffraction data from a bio-based ionic liquid constituted by choline ([cho])
and an amino acid (AA), namely n-leucine ([nle]), are presented and described by means of …