Volume 4 (2020)
Volume 3 (2019)
Volume 2 (2018)
Volume 1 (2017)
Main Subjects = Physical chemistry
Number of Articles: 19
1. Study of Molecular Interactions in Binary Mixtures of Ethylmethylketone and 2-alkanol by Excess Number of i and j Molecules Around a Central Molecule j (Δnij)
Articles in Press, Accepted Manuscript, Available Online from 04 July 2019
Abstract
In order to study the nature, type, and magnitude of interactions in the binary mixtures of methyl-ethyl-ketone and a series of 2-alkanol from 2-propanol up to 2-heptanol, excess (or ... Read More
2. The Activity of Alkyl Groups in Morpholinium Cation on Chemical Reactivity, and Biological Properties of Morpholinium Tetrafluroborate Ionic Liquid Using the DFT Method
Articles in Press, Accepted Manuscript, Available Online from 04 July 2019
Abstract
The physical properties, chemical and biological properties are evaluated through the Density Functional Theory (DFT) of molecular mechanics. The difference between Highest Occupied ... Read More
3. Can Non-bonded Pair of Electrons of Sp3 Nitrogen with Two Single σ-Bonds on Either Side Still Transmit Substituent Electronic Effects to the Reaction Site? Reversal of Attenuation Effect by Sp3 Nitrogen–A Chemical Education Perspective
Volume 4, Issue 1 , January and February 2020, , Pages 106-114
Abstract
Dependence of reactivity of organic molecules on substituents was a well-established phenomenon in terms of Hammett and Taft equations in physical-organic chemistry. The well-known ... Read More
4. Conductance and FTIR Spectroscopic Study of Triple-ion Formation of Tetrabutylphosphonium Methanesulfonate in Methylamine Solution
Volume 4, Issue 1 , January and February 2020, , Pages 55-67
Abstract
Triple-ion formation of tetrabutylphosphonium methanesulfonate [Bu4PCH3SO3] in methylamine solution has been reported quantitatively by conductometric study, and the observation has ... Read More
5. Synthesis and Characterization of Aluminium Sulphide (Al2S3) Thin Films
Volume 3, Issue 6. pp. 684-795 , November and December 2019, , Pages 715-726
Abstract
The synthesis of Al2S3 thin film was carryout using electrodeposition technique. The electrodeposition bath system is composed of a source of cation (i.e. AlSO4.17H2O for Al2+) and ... Read More
6. Evaluation of Ground and Excited State Dipole Moments of 2(3)-tetra(tert-butylphenoxy)phthalocyaninato Zinc(II) from Solvatochromic Data
Volume 3, Issue 6. pp. 684-795 , November and December 2019, , Pages 737-751
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
7. 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, pp. 519-683 , September and October 2019, , Pages 607-625
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
8. Different Interface Engineering in Organic Solar Cells: A Review
Volume 3, Issue 4, pp. 392-518 , 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
9. Study of Interaction of Human Serum Albumin with Doxorubicin (Anti-Cancer Drug) by Docking Simulation
Volume 3, Issue 3, pp. 276-391 , 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
10. Phthalimide Derivatives: New Promising Additives for Functional Electrolyte in Lithium-ion Batteries
Volume 3, Issue 2. pp. 145-275 , 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
11. Computational NQR−NBO Parameters and DFT Calculations of Ampicillin and Zwitterion (Monomer and Dimer Structures)
Volume 3, Issue 1. pp. 1-144 , Winter 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
12. Polyaminopolyphosрhonates and Polyaminopolycarbonoates (that are “Chelators”) in Mission of Inhibiting of Microbiological Corrosion with Desulfovibrio Desulfuricans
Volume 3, Issue 1. pp. 1-144 , Winter 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
13. Cyclic Voltammetry for the Interaction between Bismuth Nitrate and Methyl Red in Potassium Nitrate Solutions
Volume 3, Issue 1. pp. 1-144 , Winter 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
14. Measurement and Calculation of Physico-chemical Properties of Binary Mixtures Containing Xylene and 1-Alkanol
Volume 2, Issue 4. pp. 270-340 , Autumn 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
15. Cyclic Voltammetry of Zirconyl Chloride (ZrOCl2) in KF Medium Using Silver Working Electrode (SWE)
Volume 2, Issue 3. pp. 181-269 , Summer 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)
16. Investigation of NMR Parameters of para-Sulfonato-calix[4]arene by HF Calculation
Volume 2, Issue 3. pp. 181-269 , Summer 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
17. Association Parameters for Paratoluic Acid in Binary Mixtures of Ethanol and Water at Different Temperatures
Volume 2, Issue 2. pp. 83-180 , March and 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
18. Theoretical Investigation on the Antitumor Drug: ThioTEPA and its Interaction with S-donor Biomolecules and DNA Purine Bases
Volume 2, Issue 2. pp. 83-180 , March and April 2018, , Pages 128-140
Abstract
During recent years, it has been shown that the thioTEPA molecule can play a very important role as an anticancer drug. The present research studies the structural and spectral properties ... Read More
19. Study of Quantitative Structure-Activity Relationship (QSAR) of Diarylaniline Analogues as in Vitro Anti-HIV-1 Agents in Pharmaceutical Interest
Volume 1, Issue 2. pp. 87-193 , September and October 2017, , Pages 173-193