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 …
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 …
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
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 …
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 …
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
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 …
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
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 …
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
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 …
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?
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 …
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
A combined approach of molecular dynamics simulations, wide angle X-ray scattering
experiments, and density measurements was employed to study the structural properties of …
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
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 …
and an amino acid (AA), namely n-leucine ([nle]), are presented and described by means of …