The origin of the enormous catalytic power of enzymes has been extensively studied
through experimental and computational approaches. Although precise mechanisms are still …

The need for non-invasive therapies capable of conserving drug efficiency and stability
while having specific targetability against colorectal cancer (CRC), has made nanoparticles …

The effects of binary and ternary systems of acetazolamide (ACZ) with hydroxypropyl-β-
cyclodextrin (HP-β-CD) alone or with triethanolamine (TEA) on the crystalline properties …

Abstract Aristolochic acids (AAs)(Aristolochiaceae) are used in the traditional Chinese herb
medicine. We have presented the geometry optimization, electrostatic potential surface …

By taking into consideration the facts that rare gases (Ar, He, Kr, and Ne) are practically inert
and that the structure of the ethyl cation (C 2 H 5+) is stabilized through the …

The dihydrogen bond complexes (H 3 SiH∙∙∙ HOX) and halogen bond complexes (H 3 SiH∙∙∙
XOH) formed between SiH 4 and hypohalous acids HOX (X= F, Cl, and Br) have been …

Metal ions are important regulatory cofactors in a wide variety of proteins. Conventional
wisdom suggests that stronger metal–ligand interactions have a larger effect on the ligand …

We have determined the geometric, vibrational, and electronic properties of N‐acetylglycine
oligomers by performing density functional theory quantum chemical calculations. The …

Experimental IR and Raman spectra of solid acetazolamide have been analysed by
computing the molecular structures and vibrational spectra of monomer and dimer forms and …

Experimental IR and Raman spectra of solid acetazolamide have been analysed by
computing the molecular structures and vibrational spectra of monomer and dimer forms and …