Volume 5 (2021)
Volume 4 (2020)
Volume 3 (2019)
Volume 2 (2018)
Volume 1 (2017)
Main Subjects = Physical chemistry
Number of Articles: 26
1. Increasing in the Selectivity of Formose Reaction for Glyceraldehyde Production in the Presence of Fumed Silica and Montmorillonite Catalysts
Volume 5, Issue 5 , September and October 2021, , Pages 422-432
Abstract
In the present paper, the Formose reaction is investigated to produce polyols in the presence of two different catalysts at different pHs. The Formose reaction mechanism is the same ... Read More
2. Investigation of Optoelectronics, Thermoelectric, Structural and Photovoltaic Properties of CH3NH3SnBr3 Lead-Free Organic Perovskites
Volume 5, Issue 3 , May and June 2021, , Pages 259-270
Abstract
To develop the lead-free organic perovskites, the crystal CH3NH3SnBr3 was selected for their computational exploration which has a vast functional application in optoelectronic area ... Read More
3. Theoretical Investigations on the Separation of Medetomidine Enantiomers
Volume 4, Issue 6 , November and December 2020, , Pages 788-797
Abstract
The enantiomeric separation of racemic compounds is of special importance. Conglomerate mixture is of considerable interest, since it corresponds to the possibility of spontaneous resolution ... Read More
4. Identification of Filamentous Microorganisms Causing Filamentous Bulking and Factors Affecting Their Growth in a Petrochemical Wastewater Treatment Plant
Volume 4, Issue 6 , November and December 2020, , Pages 798-805
Abstract
Bulking (sludge bulking) is caused by the excessive growth of filamentous or non-filamentous bacteria in the process of wastewater treatment, which subsequently results in a reduction ... Read More
5. Aluminum in Reaction with Sodium Hydroxide: Summary Action of a Depolarizer and an Inhibitor
Volume 4, Issue 5 , September and October 2020, , Pages 635-646
Abstract
An unusual work is that the galvanic cell described is non-standard and has irreversible electrodes. Non-standard are comparative electrodes too. Only 1 electrochemical cell Al | NaOH ... Read More
6. Theoretical Study of the Reaction Among Isocyanide, Dialkyl Acetylenedicarboxylate and Acetic Anhydride: The Investigation of the Reaction
Volume 4, Issue 4 , July and August 2020, , Pages 514-531
Abstract
In this work, stepwise reaction mechanism of the [2+3] cycloaddition reaction among alkyl isocyanides (contains tert-butyl isocyanide, cyclo hexyl isocyanide) with dialkyl acetylenedicarboxylate ... Read More
7. Preparation and Crystal Structure of N,N΄-bis(2,4-dimethoxybenzylidene)-butane-1,4-diamine Monohydrate
Volume 4, Issue 3 , May and June 2020, , Pages 333-339
Abstract
In this work, the Schiff-base compound N,N΄-bis(2,4-dimethoxybenzylidene)-butane-1,4-diamine monohydrate ((2,4-MeO-ba)2bn/H2O) was prepared by the condensation reaction of 2,4-dimethoxybenazaldehyde ... Read More
8. 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)
Volume 4, Issue 2 , March and April 2020, , Pages 123-129
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
9. The Activity of Alkyl Groups in Morpholinium Cation on Chemical Reactivity, and Biological Properties of Morpholinium Tetrafluroborate Ionic Liquid Using the DFT Method
Volume 4, Issue 2 , March and April 2020, , Pages 130-142
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
10. 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
11. 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
12. Synthesis and Characterization of Aluminium Sulphide (Al2S3) Thin Films
Volume 3, Issue 6 , November and December 2019, , Pages 651-662
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
13. 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
14. 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
15. 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
16. 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
17. 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
18. Cyclic Voltammetry for the Interaction between Bismuth Nitrate and Methyl Red in Potassium Nitrate Solutions
Volume 3, Issue 1 , 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
19. Polyaminopolyphosрhonates and Polyaminopolycarbonoates (that are “Chelators”) in Mission of Inhibiting of Microbiological Corrosion with Desulfovibrio Desulfuricans
Volume 3, Issue 1 , 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
20. Computational NQR−NBO Parameters and DFT Calculations of Ampicillin and Zwitterion (Monomer and Dimer Structures)
Volume 3, Issue 1 , 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
21. Measurement and Calculation of Physico-chemical Properties of Binary Mixtures Containing Xylene and 1-Alkanol
Volume 2, Issue 4 , 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
22. Cyclic Voltammetry of Zirconyl Chloride (ZrOCl2) in KF Medium Using Silver Working Electrode (SWE)
Volume 2, Issue 3 , 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)
23. Investigation of NMR Parameters of para-Sulfonato-calix[4]arene by HF Calculation
Volume 2, Issue 3 , 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
24. Association Parameters for Paratoluic Acid in Binary Mixtures of Ethanol and Water at Different Temperatures
Volume 2, Issue 2 , 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
25. Theoretical Investigation on the Antitumor Drug: ThioTEPA and its Interaction with S-donor Biomolecules and DNA Purine Bases
Volume 2, Issue 2 , March and April 2018, , Pages 128-140