Deuteration and polymers: rich history with great potential

L Li, J Jakowski, C Do, K Hong - Macromolecules, 2021 - ACS Publications
Deuterium, a stable hydrogen isotope, has been playing important roles in many scientific
areas, including polymer science. The developments of deuteration science and polymer …

First-principles study of carbon nanothreads derived from five-membered heterocyclic rings: thiophene, furan and pyrrole

PG Demingos, NM Balzaretti, AR Muniz - Physical Chemistry Chemical …, 2021 - pubs.rsc.org
Carbon nanothreads are one-dimensional materials obtained by controlled compression of
aromatic molecules. Benzene and other six-membered ring molecules are normally used as …

Isotope Effect in the Magneto‐Optoelectronic Response of Organic Light‐Emitting Diodes Based on Donor–Acceptor Exciplexes

X Liu, H Popli, O Kwon, H Malissa, X Pan… - Advanced …, 2020 - Wiley Online Library
The isotope effect is studied in the magneto‐electroluminescence (MEL) and pulsed
electrically detected magnetic resonance of organic light‐emitting diodes based on …

Dynamics & spectroscopy with neutrons—recent developments & emerging opportunities

K Drużbicki, M Gaboardi, F Fernandez-Alonso - Polymers, 2021 - mdpi.com
This work provides an up-to-date overview of recent developments in neutron spectroscopic
techniques and associated computational tools to interrogate the structural properties and …

Electronic and mechanical properties of partially saturated carbon and carbon nitride nanothreads

PG Demingos, AR Muniz - The Journal of Physical Chemistry C, 2019 - ACS Publications
Carbon nanothreads (NTs) are ultrathin materials synthesized by solid-state reaction of
crystalline benzene or pyridine under high pressure. Recent experimental studies show that …

Quantum Dynamics with the Quantum Trajectory-Guided Adaptable Gaussian Bases

M Dutra, S Wickramasinghe… - Journal of chemical …, 2019 - ACS Publications
The computational cost of describing a general quantum system fully coupled by
anharmonic interactions scales exponentially with the system size. Thus, an efficient basis …

Pressure-induced amorphization and reactivity of solid dimethyl acetylene probed by in situ FTIR and Raman spectroscopy

J Guan, R Daljeet, A Kieran… - Journal of Physics …, 2018 - iopscience.iop.org
Conjugated polymers are prominent semiconductors that have unique electric conductivity
and photoluminescence. Synthesis of conjugated polymers under high pressure is …

Phase transitions in benzene under dynamic and static compression

U Rao, S Chaurasia, AK Mishra… - Journal of Raman …, 2021 - Wiley Online Library
Phase transitions in liquid benzene under laser shocked conditions are studied using high‐
resolution time‐resolved Raman spectroscopic technique. The C‐C ring breathing mode …

Negative linear compressibility and structural stability of the energetic material trans-hexanitrostilbene under pressure

X Deng, D Li, B Fu, Y Liu, W He, S Li… - Physical Chemistry …, 2024 - pubs.rsc.org
The structural stability of the energetic material 2, 2′, 4, 4′, 6, 6′-hexanitrostilbene (trans-
HNS) under high pressure is critical for optimizing its detonation performance and low …

High-Pressure Study of the Vibrational Properties and Chemical Reaction of N-Vinyl-2-pyrrolidinone by Raman Spectroscopy

Y Dai, M Ma, Y Qi - The Journal of Physical Chemistry C, 2021 - ACS Publications
The vibrational properties and chemical stability of N-vinyl-2-pyrrolidinone (NVP) were
studied by Raman measurements under high pressure up to 28.5 GPa. When the pressure …