Quantum chemical studies on some seleanaphthalene derivatives

Türker, Burhan Lemi
Quantum chemical studies on certain selenanaphthalene derivatives (having a keto or enol group and also Se atom in five- or six-membered ring system fused with naphthalene moiety) have been carried out using PM3 method at the level of restricted Hartree-Fock approach. The aquated systems have also been considered.


Analysis of the Raman intensities near the phase transitions in ammonium halides
Yurtseven, Hasan Hamit (Elsevier BV, 2008-12-01)
This study concentrates on the temperature dependence of the Raman intensities for the lattice modes in ammonium halides (NH4Cl and NH4Br) close to phase transitions, We predict their intensities using the results of a shell model for the Raman polarizability within the framework of an Ising pseudospin-phonon coupled model.
Temperature dependence of the damping constant and the order parameter close to the lambda phase transitions in ammonium halides
Yurtseven, Hasan Hamit (Elsevier BV, 2006-10-01)
This study gives our calculation for the damping constant, using the expressions derived for an Ising pseudospin-phonon coupled system in the ammonium halides (NH4Cl and NH4Br). For this calculation of the damping constant, we use the temperature dependence of the order parameter calculated from the molecular field theory. We predict here the damping constants for the v(5) (174 cm(-1)) and v(5) (177 cm(-1)) Raman modes of NH4Cl and NH4Br, respectively, below T-lambda and compare them with our observed bandw...
Interactions of tamoxifen with distearoyl phosphatidylcholine multilamellar vesicles: FTIR and DSC studies
Bilge, Duygu; ŞAHİN, İPEK; KAZANCI, NADİDE; Severcan, Feride (Elsevier BV, 2014-09-15)
Interactions of a non-steroidal antiestrogen drug, tamoxifen (TAM), with distearoyl-sn-glycero-3-phosphatidylcholine (DSPC) multilamellar liposomes (MLVs) were investigated as a function of drug concentration (1-15 mol%) by using two noninvasive techniques, namely Fourier transform infrared (FTIR) spectroscopy and differential scanning calorimetry (DSC). FTIR spectroscopy results show that increasing TAM concentrations (except 1 mol%) increased the wavenumbers of the CH2 stretching modes, implying an disord...
2-D analysis of Ge implanted SiO(2) surfaces by laser-induced breakdown spectroscopy
Yalcin, Serife; Oerer, Sabiha; Turan, Raşit (Elsevier BV, 2008-10-01)
2-D elemental distribution of Ge in silicon oxide substrates with differing implantation doses of between 3x10(16) cm(-2) and 1.5x10(17) cm(-2) has been investigated by Laser-induced Breakdown Spectroscopy (LIBS). Spectral emission intensity has been optimized with respect to time, crater size, ablation depth and laser energy. Atomic Force Microscopy (AFM) and Scanning Electron Microscopy (SEM) coupled with Energy-Dispersive X-Ray Spectroscopy (EDX) have been utilized to obtain crater depth, morphology and ...
Bandwidths studied as a function of temperature in ammonium halides near T-lambda
Yurtseven, Hasan Hamit (Elsevier BV, 2005-12-01)
This study gives our analysis of the Raman bandwidths using the soft mode-hard mode coupling model applied to ammonium halides. The temperature dependence of our observed bandwidths for the nu(5)(174 cm(-1)) Raman mode of NH4Cl and nu(5)(177 cm(-1)) Raman mode of NH4Br, is analyzed close to phase transitions. From our analysis, we obtain beta = 0.13 as the values of the critical exponent for the order parameter in the first order phase region for the ammonium halides.
Citation Formats
B. L. Türker, “Quantum chemical studies on some seleanaphthalene derivatives,” INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY, pp. 657–660, 2005, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/62261.