Review of applications of density functional theory (DFT) quantum mechanical calculations to study the high-pressure polymorphs of organic crystalline materials
E Napiórkowska, K Milcarz, Ł Szeleszczuk - International Journal of …, 2023 - mdpi.com
Since its inception, chemistry has been predominated by the use of temperature to generate
or change materials, but applications of pressure of more than a few tens of atmospheres for …
or change materials, but applications of pressure of more than a few tens of atmospheres for …
Glycine: The gift that keeps on giving
E Boldyreva - Israel Journal of Chemistry, 2021 - Wiley Online Library
Glycine is a small molecule. It cannot change its conformation and is achiral. Despite the
apparent simplicity, glycine shows endless diversity in its behavior over many phenomena. It …
apparent simplicity, glycine shows endless diversity in its behavior over many phenomena. It …
Gamma glycine enhances efficiency of organic hybrid piezoelectric-triboelectric nanogenerators
S Ukasi, P Jutapukti, C Ninthub, N Pinpru, P Pakawanit… - Nano Energy, 2024 - Elsevier
This study presents a comprehensive exploration of enhancing the electrical output of
flexible hybrid piezoelectric-triboelectric nanogenerators (P-TENG) through the …
flexible hybrid piezoelectric-triboelectric nanogenerators (P-TENG) through the …
[HTML][HTML] Designing Accurate Moment Tensor Potentials for Phonon-Related Properties of Crystalline Polymers
The phonon-related properties of crystalline polymers are highly relevant for various
applications. Their simulation is, however, particularly challenging, as the systems that need …
applications. Their simulation is, however, particularly challenging, as the systems that need …
Understanding the salt-dependent outcome of glycine polymorphic nucleation
G Han, PS Chow, RBH Tan - Pharmaceutics, 2021 - mdpi.com
The salt-dependent polymorphs of glycine crystals formed from bulk solutions have been a
longstanding riddle. In this study, in order to shed fresh light, we studied the effects of seven …
longstanding riddle. In this study, in order to shed fresh light, we studied the effects of seven …
Decarboxylation of glycine on icy grain surfaces: a first-principle investigation
Much effort has been devoted to the investigation of the reactivity of glycine, the smallest
amino acid, in different environments in the interstellar medium (ISM). While the formation …
amino acid, in different environments in the interstellar medium (ISM). While the formation …
Polymorph prediction through observed structural isomorphism leading to a new crystalline form of cannabidiol
HE Straker, L McMillan, L Mardiana, GR Hebberd… - …, 2023 - pubs.rsc.org
Cannabidiol (CBD) is a naturally occurring phytocannabinoid, approved for use in the US
and other countries for the treatment of seizures associated with Dravet syndrome, Lennox …
and other countries for the treatment of seizures associated with Dravet syndrome, Lennox …
[HTML][HTML] Heat Capacities of α-, β-, and γ-Polymorphs of Glycine
As a part of our effort to establish reliable thermodynamic data for amino acids, the heat
capacity and phase behavior are reported for two stable polymorphs (α and γ) of glycine …
capacity and phase behavior are reported for two stable polymorphs (α and γ) of glycine …
Determination of the Cohesive Properties and Sublimation Temperatures of Glycine Polymorphs
The experimental data of sublimation properties is limited to important materials,
encouraging the development and assessment of theoretical models. Here, such properties …
encouraging the development and assessment of theoretical models. Here, such properties …
Elastic and piezoelectric properties of β-glycine–a quantum crystallography view on intermolecular interactions and a high-pressure phase transition
MA Khainovsky, E Boldyreva… - … Section B: Structural …, 2024 - journals.iucr.org
The effect of hydrostatic compression on the elastic and electronic properties of β-glycine
was studied using a quantum crystallography approach. The interrelations between the …
was studied using a quantum crystallography approach. The interrelations between the …