Volume 8 (2024)
Volume 7 (2023)
Volume 6 (2022)
Volume 5 (2021)
Volume 4 (2020)
Volume 3 (2019)
Volume 2 (2018)
Volume 1 (2017)
Main Subjects = Physical chemistry
Number of Articles: 38
Evaluation of Ground and Excited State Dipole Moments of 2(3)-tetra(tert-butylphenoxy)phthalocyaninato Zinc(II) from Solvatochromic Data
Volume 3, Issue 6 , November and December 2019, , Pages 673-687
Abstract
This article presents a semi-empirical determination of ground state dipole moment (mg) and excited state dipole moment (me) of 2(3)-tetra(tert-butylphenoxy)phthalocyaninato zinc(II) ... Read More
The AIM, RDG, NBO, Quantum and Structural Study of Adsorption of Phosgene Gas on the Surface of Pristine and Al, P Doped Ga12N12 Nano Cluster: A DFT Method
Volume 3, Issue 5 , September and October 2019, , Pages 543-561
Abstract
The main objective of this work is to study the sensivity of pristine, Al, P and Al & P doped Ga12N12 to adsorb phosgene (COCl2) molecule. The interaction of COCl2 from O, C and ... Read More
Different Interface Engineering in Organic Solar Cells: A Review
Volume 3, Issue 4 , July and August 2019, , Pages 425-441
Abstract
The global quest for reliable sources of energy has led to the development of Organic solar cells (OSCs)/ Organic photovoltaics (OPVs). Over the past few years, they have shown great ... Read More
Study of Interaction of Human Serum Albumin with Doxorubicin (Anti-Cancer Drug) by Docking Simulation
Volume 3, Issue 3 , May and June 2019, , Pages 348-353
Abstract
Human serum albumin (HSA) is one of the main endogenous vehicles for biodistribution of molecules by blood plasma. Association constants and thermodynamic parameters for the interaction ... Read More
Phthalimide Derivatives: New Promising Additives for Functional Electrolyte in Lithium-ion Batteries
Volume 3, Issue 2 , March and April 2019, , Pages 261-275
Abstract
Vinylene carbonate (VC) is the most well-known additive for current lithium-ion batteries (LIBs). Low anodic stability or insufficient oxidation stability as a drawback of VC affected ... Read More
Cyclic Voltammetry for the Interaction between Bismuth Nitrate and Methyl Red in Potassium Nitrate Solutions
Volume 3, Issue 1 , January 2019, , Pages 1-11
Abstract
Cyclic Voltammetry of bismuth nitrate (BN) using different concentrations was practically measured by the use of DY2000 potenstiostat. We used 0.1 M KNO3 as a transporting medium for ... Read More
Polyaminopolyphosрhonates and Polyaminopolycarbonoates (that are “Chelators”) in Mission of Inhibiting of Microbiological Corrosion with Desulfovibrio Desulfuricans
Volume 3, Issue 1 , January 2019, , Pages 12-29
Abstract
In this paper, the process of adsorption of organic compounds of the polyaminopolyphosphonates and polyaminopolyсarbonoates (сhelators or complexones) chemical type on iron (available ... Read More
Computational NQR−NBO Parameters and DFT Calculations of Ampicillin and Zwitterion (Monomer and Dimer Structures)
Volume 3, Issue 1 , January 2019, , Pages 55-66
Abstract
Density functional theory (DFT) was used to analyze the structure and Nuclear quadrupole coupling constants (NQCC), χ, and asymmetry parameters, η, of 14N nuclei have been calculated ... Read More
Measurement and Calculation of Physico-chemical Properties of Binary Mixtures Containing Xylene and 1-Alkanol
Volume 2, Issue 4 , October 2018, , Pages 308-314
Abstract
Measured densities and viscosities of xylene, 1-butanol, 1-pentanol, 1-hexanol, 1-heptanol and 1-octanol and their binary mixtures with xylene in the liquid state were reported over ... Read More
Cyclic Voltammetry of Zirconyl Chloride (ZrOCl2) in KF Medium Using Silver Working Electrode (SWE)
Volume 2, Issue 3 , July 2018, , Pages 186-193
Abstract
The cyclic Voltammetry of zirconyl chloride with different concentrations was measured experimentally using DY2000 cyclic Voltammetry apparatus in 0.1M KF (potassium fluoride) as a ... Read More![Investigation of NMR Parameters of para-Sulfonato-calix[4]arene by HF Calculation](data/chemm/coversheet/661527620101.jpg)
Investigation of NMR Parameters of para-Sulfonato-calix[4]arene by HF Calculation
Volume 2, Issue 3 , July 2018, , Pages 239-246
Abstract
Conformationally-rigid para-sulfonato-calix[4]arene (C28H24O16S4) was isolated. The NMR parameters of the structure of calix[4]arenes have been compared. The study of organic structures ... Read More
Association Parameters for Paratoluic Acid in Binary Mixtures of Ethanol and Water at Different Temperatures
Volume 2, Issue 2 , April 2018, , Pages 93-102
Abstract
Different association parameters were evaluated for saturated paratoluic acid in the binary mixtures of ethanol-water at different temperatures by measuring the molal solubility and ... Read More
Theoretical Investigation on the Antitumor Drug: ThioTEPA and its Interaction with S-donor Biomolecules and DNA Purine Bases
Volume 2, Issue 2 , April 2018, , Pages 128-140