This paper deals with the crystal structure of the new non-centrosymmetric organic-inorganic
hybrid material,(C 6 H 14 N) 2 [CdCl 4]. Single crystal X-ray diffraction analysis shows that …

The article discusses the profound impact of advancements in computing and software on
theoretical simulations, marking a transformative era in computational chemistry. Focused …

A one-dimensional [Cd (SCN) 2] n coordination polymer doubly bridged by 2-aminopyridine
has been synthesized via slow evaporation method at low temperature and it was …

Following a complaint received by the editors, it was found upon investigation that 7 citations
(reference number 9, 10, 12, 32, 33, 39, 40) were added to this paper during the peer-review …

The molecular framework and vibrational spectra of 2′-Fluoro-6′-Trifluoromethyl
Acetophenone (MA3) in diverse solvent environments are being studied using quantum …

The stoichiometric ratio 2: 1 mix of 1-phenylpiperazine and oxalic acid dihydrate followed by
slow evaporation results in a new material, bis (4-phenylpiperazin-1-ium) oxalate dihydrate …

Sitagliptin is a medication used to manage type-2 diabetes. The present study investigates
the experimental and theoretical results of Sitagliptin (SG). Density functional theory (DFT) …

This work provides a thorough characterization of a Schiff base molecule that is produced
when terephthaldehyde and 2-chloroaniline are combined. A variety of spectroscopic …

Structural features and intramolecular interactions have been investigated with quantum
mechanical calculations using DFT at the B3LYP level using a 6-311G (d, p) basis set. The …

As focuses on a set of pertinent compounds that incorporate a γ-substituted halophenol
linkage with pentanamide (PA). The properties of these compounds were comprehensively …