[HTML][HTML] Structural Analysis of Polylactic Acid in Composite Starch Biopolymers–A Stochastic Dynamics Mass Spectrometric Approach

B Ivanova - Innov Discov, 2024 - article.innovationforever.com
Since, by 2050 at about 12 thousand metric tons waste of synthetic plastics shall pollute the
environment, and only 9% of them have been recycled, there is position involving synthetic …

Ab initio conformational analysis of α/β-d-xylopyranose at pyrolysis conditions

B Ballotta, J Lupi, L Ayarde-Henríquez… - Physical Chemistry …, 2024 - pubs.rsc.org
Xylopyranose is the principal monosaccharide unit of hemicellulose, one of the three major
biopolymers of lignocellulosic biomass. Understanding its decomposition mechanism is …

Performance of Minnesota Functionals on Vibrational Frequency

J Wang, C Zhang, Y Li, Y Zhou, Y Shu… - … Journal of Quantum …, 2024 - Wiley Online Library
Molecular geometry and harmonic frequency calculations are essential in thermochemical
computations, with density functional theory (DFT) being widely employed for vibrational …