Studying chemical reactions in computer simulations requires a reliable description of the
atomic interactions. While for systems of moderate size precise electronic structure …

Abstract Sudan III [1-{[4-(phenylazo) phenyl] azo}-2-naphthalenol] is non-ionic fat-soluable
dye used as an additive in gasoline, oils and plastics. The molecular structure, molecular …

Two types of difluorinated conjugated systems incorporating bridged cyclopentadithiophene,
alternating fumaronitrile and 1, 3, 4-oxadiazole were designed and theoretically studied by …

In this study, the polarizability (< α>), the anisotropy of the polarizability (< Δα>), ground-state
dipole moment (µ) and the first-order hyperpolarizability (β) of theSudan III (SIII)[1-({4 …

The prototropic tautomerism in four novel azo compounds derived from pyrazolo [1, 5-a]
pyrimidin-7 (4H)-one was intensively examined. Tautomeric structures which result from …

The solvatochromism and other spectroscopic properties of seven azo dyes were studied,
with a particular respect to the role of the solvent basicity, and interpreted with the aid of …

In this study, the pKa values of some azo dyes derived from cyclohexane-1, 3-dione in
different organic solvent+ water mixtures have been determined spectrophotometrically. The …

Günümüzde insan kaynaklı hava kirliliği önemli ölçüde artış göstermiştir. Marmara Bölgesi,
Türkiye'nin en fazla endüstrileşmiş ve en yoğun nüfusa sahip bölgesidir. Bölge, hava kirliliği …

This chapter presents and discusses recent achievements towards determining and
interpreting polarizabilities and hyperpolarizabilities of atoms, molecules, clusters …

The interest in the study of oligomers has been motivated mainly because of their solubility
in common solvents and also their capacity to be crystallized, which allowed for chemical …