[HTML][HTML] Liquid–liquid transition and polyamorphism
H Tanaka - The Journal of Chemical Physics, 2020 - pubs.aip.org
Two or more liquid states may exist even for single-component substances, which is known
as liquid polymorphism, and the transition between them is called liquid–liquid transition …
as liquid polymorphism, and the transition between them is called liquid–liquid transition …
The contribution of Raman spectroscopy to the analysis of phase transformations in pharmaceutical compounds
A Hédoux, Y Guinet, M Descamps - International journal of pharmaceutics, 2011 - Elsevier
We show in this paper the contribution of the whole Raman spectrum including the phonon
spectrum, to detect, identify and characterize polymorphic forms of molecular compounds …
spectrum, to detect, identify and characterize polymorphic forms of molecular compounds …
[PDF][PDF] Validation of molecular crystal structures from powder diffraction data with dispersion-corrected density functional theory (DFT-D)
J van de Streek, MA Neumann - Acta Crystallographica Section B …, 2014 - journals.iucr.org
In 2010 we energy-minimized 225 high-quality single-crystal (SX) structures with dispersion-
corrected density functional theory (DFT-D) to establish a quantitative benchmark. For the …
corrected density functional theory (DFT-D) to establish a quantitative benchmark. For the …
Thermal conductivity of solid triphenyl phosphite
The thermal conductivity, κ, of solid triphenyl phosphite was measured by using the transient
hot-wire method, and its temperature and pressure dependencies were analyzed to …
hot-wire method, and its temperature and pressure dependencies were analyzed to …
Vibrational and structural properties of amorphous n-butanol: A complementary Raman spectroscopy and X-ray diffraction study
A Hédoux, Y Guinet, L Paccou, P Derollez… - The Journal of chemical …, 2013 - pubs.aip.org
Raman spectroscopy and X-ray diffraction experiments were performed in the liquid,
undercooled liquid, and glassy states of n-butanol. Clear correlated signatures are obtained …
undercooled liquid, and glassy states of n-butanol. Clear correlated signatures are obtained …
Microscopic identification of the order parameter governing liquid–liquid transition in a molecular liquid
K Murata, H Tanaka - … of the National Academy of Sciences, 2015 - National Acad Sciences
A liquid–liquid transition (LLT) in a single-component substance is an unconventional phase
transition from one liquid to another. LLT has recently attracted considerable attention …
transition from one liquid to another. LLT has recently attracted considerable attention …
Development of a multipopulation parallel genetic algorithm for structure solution from powder diffraction data
S Habershon, KDM Harris… - Journal of computational …, 2003 - Wiley Online Library
Previously, the genetic algorithm (GA) approach for direct‐space crystal structure solution
from powder diffraction data has been applied successfully in the structure determination of …
from powder diffraction data has been applied successfully in the structure determination of …
A contribution to the understanding of the polyamorphism situation in triphenyl phosphite
A Hédoux, Y Guinet, P Derollez… - Physical Chemistry …, 2004 - pubs.rsc.org
Triphenyl phosphite (TPP) is now well known to exhibit an intriguing transformation of the
supercooled liquid. The transformation was firstly interpreted as a first-order polyamorphic …
supercooled liquid. The transformation was firstly interpreted as a first-order polyamorphic …
Polymorph identification and crystal structure determination by a combined crystal structure prediction and transmission electron microscopy approach
MD Eddleston, KE Hejczyk, EG Bithell… - … A European Journal, 2013 - Wiley Online Library
Electron diffraction offers advantages over X‐ray based methods for crystal structure
determination because it can be applied to sub‐micron sized crystallites, and picogram …
determination because it can be applied to sub‐micron sized crystallites, and picogram …
Microscopic description of the polyamorphic phases of triphenyl phosphite by means of multidimensional solid-state NMR spectroscopy
J Senker, J Sehnert, S Correll - Journal of the American Chemical …, 2005 - ACS Publications
The structural properties of a second, apparently amorphous phase (aII) of the molecular
glass former triphenyl phosphite were studied by means of multidimensional solid-state …
glass former triphenyl phosphite were studied by means of multidimensional solid-state …