Hindered rotations are common in nature and can greatly affect thermodynamic properties.
Typically, the standard rigid‐rotor harmonic‐oscillator approximation is used to compute …

Syringic acid (SA) is a natural phenolic acid found in vegetables, fruits, and other plant-
based foods. A range of biological activities were proposed for this compound including …

Background and objective In healthcare systems, the cost of unplanned readmission
accounts for a large proportion of total hospital payment. Hospital-specific readmission rate …

In this review, we give a brief summary of methodological and computational aspects of
determination of structure and different size-dependent properties of small atomic clusters by …

Terrorist attacks have been becoming one of the severe threats to national public security
and world peace. Ascertaining whether the behaviors of terrorist attacks will threaten the …

Amino (NH2) radicals play a central role in the pyrolysis and oxidation of ammonia. Several
reports in the literature highlight the importance of the reactions of NH2 radicals with fuel in …

The development of new catalysts for converting biomass to high-value chemicals has
received much attention for both energy and the environment; thus, designing and …

5-Hydroxymethylfurfural (HMF) is a natural product derived from the degradation of sugars in
eg milk, honey and raisins. Recent studies have shown that this compound has several …

Software Engineering researchers are increasingly using Natural Language Processing
(NLP) techniques to automate Software Vulnerabilities (SVs) assessment using the …

This study theoretically reports the comprehensive kinetic mechanism of the aniline+ OH
reaction in the range of 200–2000 K and 0.76–7600 Torr. The temperature-and pressure …