The fluorescence and absorption spectra of Fluoranthene dissolved in
cyclohexane and ethanol were studied and analyzed. The effect of the
concentration of this molecule and the polarity of the solvents on the spectral
shifts and on relative intensity has been investigated. A computational program
was written in order to convert the spectra from grapher to data. Some
photophysical parameters such as oscillator strength and quantum efficiency have
been calculated. Fluorescence quantum efficiency of Fluoranthene was measured
relative to Quinine Sulfate (QS) in 1N H2SO4. The obtained values were (0.5) in
cyclohexane and (0.45) in ethanol

The semiempirical (PM3) and DFT quantum mechanical methods were used to investigate the theoretical degradation of Indigo dye. The chemical reactivity of the Indigo dye was evaluated by comparing the potential energy stability of the mean bonds. Seven transition states were suggested and studied to estimate the actually starting step of the degradation reaction. The bond length and bond angle calculations indicate that the best active site in the Indigo dye molecule is at C10=C11.  The most possible transition states are examined for all suggested paths of Indigo dye degradation predicated on zero-point energy and imaginary frequency. The first starting step of the reaction mechanism is proposed. The change in enthalpy, Gibbs free energ

Evaporation is one of the major components of the hydrological cycle in the nature, thus its accurate estimation is so important in the planning and management of the irrigation practices and to assess water availability and requirements. The aim of this study is to investigate the ability of fuzzy inference system for estimating monthly pan evaporation form meteorological data. The study has been carried out depending on 261 monthly measurements of each of temperature (T), relative humidity (RH), and wind speed (W) which have been available in Emara meteorological station, southern Iraq. Three different fuzzy models comprising various combinations of monthly climatic variables (temperature, wind speed, and relative humidity) were developed

The effect of ethanol and methanol solvent, and their mixture has been studied on the absorption and fluorescence spectra of laser dye Rhodamine B at concentration of (10-4) Molar at room temperature. The molar absorption coefficient has been determined for mixture which was (3.223) at wave number (18181.8 cm-1), Also the Quantum Efficiency of the two solvents (ethanol and methanol) and their mixture have been calculated ,which was for mixture spectrum (38.94%) and it was larger comparing with other and solvents. The characteristics of spectrum has been determined by calculating (??) of absorption spectrum for the solvents and its mixture at maximum wave number ( ) cm-1 depending on solvent polarity and the transitions between molecular ene

In this paper, thermal properties were performed by using semi-empirical theoretical calculations to study the molecular structure of a nonlinear molecular system, the (S₂F₂) molecule in the infrared region, by using semi-empirical quantum programs in the (MNDO / PM₃) method. This study is under the condition of obtaining the stable structure of the molecule in which the molecule obtains the minimum value of the total energy. The thermodynamic properties were also calculated, including the heat of formation, whose value was (-61.002kcal / mol),  the entropy and its value (78.2916 cal / mol.k), as well as the heat capacity  (15.9454 cal / mol.k) and the enthalpy (3763.434 cal /mol),  Gibbs F

In this paper, a theoretical study of the energy spectra and the heat capacity of one electron quantum dot with Gaussian Confinement in an external magnetic field are presented. Using the exact diagonalization technique, the Hamiltonian of the Gaussian Quantum Dot (GQD) including the electron spin is solved. All the elements in the energy matrix are found in closed form. The eigenenergies of the electron were displayed as a function of magnetic field, Gaussian confinement potential depth and quantum dot size. Explanations to the behavior of the quantum dot heat capacity curve, as a function of external applied magnetic field and temperature, are presented.

Low-dimensional materials have attracted significant attention in developing and enhancing the performance of quantum well lasers due to their extraordinary unique properties. The optical confinement factor is one of the most effective parameters for evaluating the optimal performance of a semiconductor laser diode when used to measure the optical gain and current threshold. The optical confinement factor and the radiative recombination of single quantum wells (SQW) and multi-quantum wells (MQW) for InGaAsP/InP have been theoretically studied using both radiative and Auger coefficients. Quantum well width, barrier width, and number of quantum wells were all looked at to see how these things changed the optical confinement factor and