Recent successes and failures of the application of 'enhanced'semiempirical QM (SQM)
methods are reviewed in the light of the benefits and backdraws of adding dispersion (D) …

The accurate description of hydrogen‐bond interactions is of vital importance for the
computational modeling of biological systems. Standard force field (FF) as well as …

A series of nine dyes based on electron-donating phenothiazine core functionalized with
various carbonyl containing electron-withdrawing moieties as primary end group and with or …

The design and synthesis of aromatic crystalline materials with controllable crystal structure
packing is of particular interest in organic semiconductor and optoelectronic devices, where …

One of the most important purposes in molecular technologies is the preparation of
supramolecular structures by self-assembling processes. The aromatic molecules self …

Azaphenothiazines (AZA), modified phenothiazine derivatives, have been reported to exhibit
a wide spectrum of biological activities, including anticancer activities, but the mechanisms …

We examined a series of structurally related glass-forming liquids in which a phenothiazine-
based tricyclic core (PTZ) was modified by attaching n-alkyl chains of different lengths (n= 4 …

Novel cocrystals of promethazine hydrochloride [PTZ-Cl; systematic name: N, N-dimethyl-1-
(10H-phenothiazin-10-yl) propan-2-aminium chloride] with succinic acid (PTZ-Cl-succinic …

2α-Methyl-4, 5α-dihydrotestosterone 17β-propionate, known as drostanolone propionate or
masteron, is a synthetic anabolic-androgenic steroid derived from dihydrotestosterone. The …

Macrocycles emerged as an important class of useful compounds with multiple applications
ranging from selective complexation of different anions, cations or neutral molecules to the …