مرور Journal of Physical & Theoretical Chemistry بر اساس تاریخ انتشار
در حال نمایش موارد 1 - 20 از 383
-
Selective Membrane Electrode for Bromide Ion Based on Aza Pyrilium Ion Derivative as a new Ionophore.
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2004-05-01)A highly selective electrode for Bromide ion based on aza pyrilium derivative as an excellentionophore is described.The sensor exhibits a good linear response with a slope of ( 60±1 ) mV per decadeover the ...
-
Ionic Strength Dependence of Formation Constants: Complexation of Dioxouranium (VI) with Aspartic Acid
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2004-05-01)The dependence on ionic strength of protonation of L-aspartic acid and its complexation withdioxouranium(VI) is reported in sodium perchlorate solution as a background salt. The measurementshave been performed ...
-
Ab Initio Study of Conformational and Configurational Properties of 1, 3- Diazacyclohepta-1, 2-diene and 1, 3-Diazacycloocta-1, 2-diene
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2004-05-01)Ab initio calculations at HF/6-31G* level of theory for geometry optimization and MP2/6-31G*//HF/6-31G* for a single point total energy calculation are reported for the importantenergy-minimum conformations and ...
-
Rationalizing the Strength of Hydrogen-Bonded of Molybdate-Phosphonic acid Complex (1:2): Density Functional Theory Studies
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2004-05-01)The relative stability of hydrogen-bonded of Molybdate-Phosphonic Acid (MPA) complex (1:2) ingas phase has been carried out using Density Functional Theory (DFT) methods. The methods are usedfor calculations ...
-
Determination of the stability constant of Cobalt (ІІ) – Piroxicam complex by spectrophotometery
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2004-05-01)In this work, a new spectrophotometric method for the determination of trace amount of Cobalt (ІІ) ionwas investigated and the stability constant of the related complex was evaluated 2.174 × 104. In the Cobalt
-
Theoretical Study of Flavopiridol Binded to Transition Metals
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2004-05-01)More recently medical chemistry research has been focused on proteins that drive and controlcell cycle progression. Among them, the cyclin dependent kinases (cdk's) are a group ofserine/threonine kinases, which ...
-
Investigation kinetic oxidation of PS by K2S2O8 and AgNO3 catalyst
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2004-08-01)In this research oxidation kinetic panceuo.s (P.S) by S2O8-2 at the presence of AgNO3 ascatalyst was studied.The method was spectrophotometer following absorption spectrum (P.S) inwave length of 518 nm. ...
-
Polymeric Membrane Sensor for Potentiometric Determination of Tin(II) Ions
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2004-08-01)Tin(II)-ion-selective electrode consisting of dibenzo-18-crown-6 (DB18C6) as an ionophore inPVC matrix was developed. The influences of membrane composition, selectivity, response time,reversibility and temperature ...
-
Comparison Studies on Complexation of Molybdenum(VI) with Aspartic Acid And Glutamic Acid in Different Dielectric Constants1
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2004-08-01)Equilibria of the reaction of molybdenum(VI) with L-aspartic acid (Asp) and L- Glutamic acid(Glu) have been studied by spectrophotometric measurements in mixed solvent systems at an ionicstrength of 0.2 mol/dm3 ...
-
Ab initio study & Density functional investigational of Adenine & Thymine; Comparison of primitive Gaussian and NBO calculation
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2004-08-01)We have performed quantum-chemical ab initio in various basis sets at the Hartree-Fock andB3LYP levels for Adenine and Thymine with the program GAUSSIAN98. The Dipole,Quadrupole, Octapole and Hexadecapole moments ...
-
AB Initio Studies of Adsorption of Some Organic Inhibitors (Pyridine and Its derivatives) at the Aluminum Surface in hydrochloric acid (HCl).
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2004-08-01)A quantum chemical study of the corrosion inhibition properties of some organic inhibitormolecules, pyridine, 2-picoline, 3-picoline, 4-picoline, 2, 4-lutidine at the aluminum surface inhydrochloric acid (HCl) ...
-
Stability Constants of Dioxy Vanadium(V)-Glycylglycine System and a Related Calculating Model
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2004-08-01)In this research some mathematical calculations has been explained on the “ +VO2 +glycylglycine" system and some equations has been deduced to determine the stability constants ofthe equilibrium models ...
-
The effect of polar copolymers in protein absorption on contact lenses on 2-Hydroxyethyl methacrylate(HEMA)
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2004-10-01)For the purpose of increasing the permeability to oxygen and equilibrium water content in contact lenses, polar copolymers with nonionic monomers such as 2-hydroxyethle methacrylate(HEMA) Is used. By adding the polar ...
-
Thermodynamic study of Ion pairing in Aqueous solution of 〖BaF〗_2 by (_^19)F-NMR
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2004-10-01)The ion-pair association constant values, related to the reaction + were determined by means of the NMR spectroscopy. The values of the thermodynamic functions of the ion pairing process were calculated on the basis of ...
-
A new method for Eosin preparation and examination of its absorption and emission spectra
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2004-10-01)Eosin is one of the original dyes of xanthenes derivatives. It is also one of the main derivatives of fluorescein and has brilliant fluorescence. Eosin disodium salt called "Eosin Y" is the most useful form of this compound. ...
-
Transesterification of trimethylphosphate catalyzed by sodium aloxides
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2004-10-01)The transesterification process of trimethylphosphate with ethanol and isopropanol is examined. It is found that the reaction does not proceed in the absence of base even at temperature up to 100°C, whereas in the presence ...
-
Spectroscopic study on the interaction of three water-soluble porphyrins with calf thymus DNA
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2004-10-01)Porophyrins and their metal derivatives are strong DNA binders with association constant of to . Some of these compounds have been used for the radiations sensitization therapy of cancer and are targeted to interact with ...
-
Modeling of the hydration shell of Adenine
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2004-10-01)The molecular geometry of complex of adenine with 8 water molecules was calculated with Hartree-Fock (HF). The standard 6-31G(d) basis set has been employed. The existence of C-H…O Hydrogen bonds between the water molecules ...
-
Ab Initio Quantum Chemical Studies of 15N and 13C NMR Shielding Tensors in Serine and Complexes of Serine- nH2O: Investigation on Strength of the CαH…O Hydrogen bonding in the Amino Acid Residue.
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2005-02-01)In this paper, the hydrogen bonding (HB) effects on the NMR chemical shifts of selected atoms in serineand serine-nH2O complexes (from one to ten water molecules) have been investigated with quantummechanical ...
-
Structural Relationship Between Randić Indices, Adjacency, Distance Matrixes and Molar Absorption Coefficient of Linear Conjugated Polyene Compounds
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2005-02-01)One of the useful indices in molecular topology is Randić index. The alternative double bonds andconjugation in the polyene compounds are one of the main properties in these compounds. Someof the molecular ...



