[HTML][HTML] Revisiting the Most Stable Structures of the Benzene Dimer
J Czernek, J Brus - International Journal of Molecular Sciences, 2024 - mdpi.com
The benzene dimer (BD) is an archetypal model of π∙∙∙ π and C–H∙∙∙ π noncovalent
interactions as they occur in its cofacial and perpendicular arrangements, respectively. The …
interactions as they occur in its cofacial and perpendicular arrangements, respectively. The …
Strengthening of Noncovalent Bonds Caused by Internal Deformations
S Scheiner - The Journal of Physical Chemistry A, 2024 - ACS Publications
It is usually assumed that the maximal noncovalent bond strength is achieved by full
geometry optimization of the geometry of the dyad. Density functional theory calculations …
geometry optimization of the geometry of the dyad. Density functional theory calculations …
Modeling and analysis of hygroscopicity of energetic materials under various temperature and relative humidity conditions: A case study on ammonium nitrate
Q Lu, H Yang, Y Hu, X Xu, Y Kou, J Yang, L Xiao… - Powder Technology, 2024 - Elsevier
Ammonium nitrate (AN) is widely used in agriculture, explosives and propellants, but its
strong hygroscopicity limits its further application. In this paper, a novel water vapor …
strong hygroscopicity limits its further application. In this paper, a novel water vapor …