Indole, a ubiquitous structural motif in bioactive compounds, has played a pivotal role in
drug discovery. Among indole derivatives, indole-3-carboxaldehyde (I3A) has emerged as a …

In this paper, a complete theoretical investigation of hydroxylic indole-3-pyruvic acid (HIPyA)
molecule was performed using the DFT quantum chemical, molecular docking and …

Melanin is an abundant biopigment in the animal kingdom, but its structure remains poorly
understood. This is a substantial impediment to understanding the mechanistic origin of its …

A series of seven stable amide derivatives based on indole‐3‐carboxaldehyde were
synthesized with high yields using various aliphatic and aromatic acyl chlorides …

The optimized molecular geometry, vibrational spectroscopic analysis of a new
hyperpolarisable molecule Ethyl 6-nitro-1H-indole-3-carboxylate (ENHIC) in the ground …

Chemical investigation of nonindigenous Tubastraea coccinea and T. tagusensis by Raman
spectroscopy resulted in the identification of carotenoids and indolic alkaloids. Comparison …

The density functional theoretical (DFT) computations were performed at the B3LYP/6-
311G++ (d, p) level to calculate the equilibrium geometry, vibrational wave numbers …

The experimental and theoretical studies on the structure and vibrations of 1–acetyl–3–
indolecarboxaldehyde (AIC) have been carried out by utilising FT–IR, FT–Raman, FT–NMR …

The (E)-2-(2-hydroxybenzylidenamino)-3-(1H-indol-3yl) propionic acid ((E)-2HBA3IPA) was
synthesized. The theoretical conformational analysis was performed to identify the stable …

In this work, the structural and vibrational properties of 1-5-(difluoromethyl-1H-pyrrol-2-yl-)
ethanone (DFPE) were studied by using the hybrid B3LYP/6-31G* method. The properties …