Extraction of the chemical interaction signature from local descriptors based on electron
density (ED) is still a fruitful field of development in chemical interpretation. In a previous …

This paper proposes a definition of the term “tetrel bond” based on the evidence
documented in the current literature. It lists the donors, acceptors, as well as related …

This Article revisits the “Definition of the Halogen Bond (IUPAC Recommendations
2013)”[Desiraju, GR Pure Appl. Chem. 2013, 85 (8), 1711–1713], recommendations that fail …

This article proposes a definition for the term “pnictogen bond” and lists its donors,
acceptors, and characteristic features. These may be invoked to identify this specific subset …

A series of N-pyridyl ureas bearing 1, 2, 4-(1a, 2a, and 3a) and 1, 3, 4-oxadiazole moiety
(1b, 2b, 3b) was prepared and characterized by HRMS, 1H and 13C NMR spectroscopy, as …

Atmospheric pollutants pose a high risk to human health, and therefore it is necessary to
capture and preferably remove them from ambient air. In this work, we investigate the …

The density functional theory (DFT) analysis is used to predict the therapeutic potential of
Graphitic carbon nitride (GCN) as a medicinal carrier for curcumin for the treatment of …

Abstract Topological Data Analysis (TDA) is a powerful mathematical theory, largely
unexplored in theoretical chemistry. In this work we demonstrate how TDA provides new …

Careful protein structure analysis unravels many unknown and unappreciated noncovalent
interactions that control protein structure; one such unrecognized interaction in protein is …

The crystal structure of bis ((μ2-ethynylsilyloxo)-dichloro-aluminum), BEDCA, and a few
related structures are characterized by the occurrence of tetrel bonds that link molecules …