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)
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)

Elham Shahbazi; Mohammad Almasi

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
The Activity of Alkyl Groups in Morpholinium Cation on Chemical Reactivity, and Biological Properties of Morpholinium Tetrafluroborate Ionic Liquid Using the DFT Method
2. The Activity of Alkyl Groups in Morpholinium Cation on Chemical Reactivity, and Biological Properties of Morpholinium Tetrafluroborate Ionic Liquid Using the DFT Method

Mohammad Jahidul Islam; Ajoy Kumer; Sunanda Paul; Md. Nuruzzaman Sarker

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
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
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

R. Sanjeev; V. Jagannadham; R. Ravi

Volume 4, Issue 1 , January and February 2020, , Pages 106-114

http://dx.doi.org/10.33945/SAMI/CHEMM.2020.1.10

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
Conductance and FTIR Spectroscopic Study of Triple-ion Formation of Tetrabutylphosphonium Methanesulfonate in Methylamine Solution
4. Conductance and FTIR Spectroscopic Study of Triple-ion Formation of Tetrabutylphosphonium Methanesulfonate in Methylamine Solution

Samir Das; Deepak Ekka; Mahendra Roy

Volume 4, Issue 1 , January and February 2020, , Pages 55-67

http://dx.doi.org/10.33945/SAMI/CHEMM.2020.1.5

Abstract
  Triple-ion formation of tetrabutylphosphonium methanesulfonate [Bu4PCH3SO3] in methylamine solution has been reported quantitatively by conductometric study, and the observation has ...  Read More
Synthesis and Characterization of Aluminium Sulphide (Al2S3) Thin Films
5. Synthesis and Characterization of Aluminium Sulphide (Al2S3) Thin Films

I. Lucky Ikhioya; B.O. Ijabor; G.M. Whyte; F.I. Ezema

Volume 3, Issue 6. pp. 684-795 , November and December 2019, , Pages 715-726

http://dx.doi.org/10.33945/SAMI/CHEMM.2019.6.4

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
Evaluation of Ground and Excited State Dipole Moments of 2(3)-tetra(tert-butylphenoxy)phthalocyaninato Zinc(II) from Solvatochromic Data
6. Evaluation of Ground and Excited State Dipole Moments of 2(3)-tetra(tert-butylphenoxy)phthalocyaninato Zinc(II) from Solvatochromic Data

Abimbola Ogunsipe; Patrick Bokolo

Volume 3, Issue 6. pp. 684-795 , November and December 2019, , Pages 737-751

http://dx.doi.org/10.33945/SAMI/CHEMM.2019.6.6

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
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

P. Hosseini; Mahdi Rezaei Sameti

Volume 3, Issue 5, pp. 519-683 , September and October 2019, , Pages 607-625

http://dx.doi.org/10.33945/SAMI/CHEMM.2019.5.4

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
8. Different Interface Engineering in Organic Solar Cells: A Review

Oluwatobi O. Amusan; Hitler Louis; Saud-uz- Zafar; Adejoke T. Hamzat; Dass M. Peter

Volume 3, Issue 4, pp. 392-518 , July and August 2019, , Pages 425-441

http://dx.doi.org/10.22034/chemm.2018.150142.1096

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
9. Study of Interaction of Human Serum Albumin with Doxorubicin (Anti-Cancer Drug) by Docking Simulation

Monir Shalbafan; Gholamreza Rezaei Behbehani; Hosein Ghasemzadeh

Volume 3, Issue 3, pp. 276-391 , May and June 2019, , Pages 348-353

http://dx.doi.org/10.22034/chemm.2018.149499.1098

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
10. Phthalimide Derivatives: New Promising Additives for Functional Electrolyte in Lithium-ion Batteries

Behrooz Mosallanejad

Volume 3, Issue 2. pp. 145-275 , March and April 2019, , Pages 261-275

http://dx.doi.org/10.22034/chemm.2018.155768.1109

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
Computational NQR−NBO Parameters and DFT Calculations of Ampicillin and Zwitterion (Monomer and Dimer Structures)
11. Computational NQR−NBO Parameters and DFT Calculations of Ampicillin and Zwitterion (Monomer and Dimer Structures)

Neda Ahmadinejad; Mostafa Talebi Trai

Volume 3, Issue 1. pp. 1-144 , Winter 2019, , Pages 55-66

http://dx.doi.org/10.22034/chemm.2018.136806.1064

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
Polyaminopolyphosрhonates and Polyaminopolycarbonoates (that are “Chelators”) in Mission of Inhibiting of Microbiological Corrosion with Desulfovibrio Desulfuricans
12. Polyaminopolyphosрhonates and Polyaminopolycarbonoates (that are “Chelators”) in Mission of Inhibiting of Microbiological Corrosion with Desulfovibrio Desulfuricans

Sikachina Andrey Anatolevich; Beloglazov Sergey Michailovich

Volume 3, Issue 1. pp. 1-144 , Winter 2019, , Pages 12-29

http://dx.doi.org/10.22034/chemm.2018.66889

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
Cyclic Voltammetry for the Interaction between Bismuth Nitrate and Methyl Red in Potassium Nitrate Solutions
13. Cyclic Voltammetry for the Interaction between Bismuth Nitrate and Methyl Red in Potassium Nitrate Solutions

Esam A. Gomaa; Mahmoud H. Mahmoud; Mohamed G. Mousa; Eman M. El-Dahshan

Volume 3, Issue 1. pp. 1-144 , Winter 2019, , Pages 1-11

http://dx.doi.org/10.22034/chemm.2018.66809

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
Measurement and Calculation of Physico-chemical Properties of Binary Mixtures Containing Xylene and 1-Alkanol
14. Measurement and Calculation of Physico-chemical Properties of Binary Mixtures Containing Xylene and 1-Alkanol

Mohammad Almasi

Volume 2, Issue 4. pp. 270-340 , Autumn 2018, , Pages 308-314

http://dx.doi.org/10.22034/chemm.2018.65188

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)
15. Cyclic Voltammetry of Zirconyl Chloride (ZrOCl2) in KF Medium Using Silver Working Electrode (SWE)

Esam A. Gomaa; Anwer G. Al- Harazie; Mahmoud N.Abdel-Hady

Volume 2, Issue 3. pp. 181-269 , Summer 2018, , Pages 186-193

http://dx.doi.org/10.22034/chemm.2018.60859

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
16. Investigation of NMR Parameters of para-Sulfonato-calix[4]arene by HF Calculation

Masoumeh Sayadian; Hamidreza Sadegh

Volume 2, Issue 3. pp. 181-269 , Summer 2018, , Pages 239-246

http://dx.doi.org/10.22034/chemm.2018.63198

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
17. Association Parameters for Paratoluic Acid in Binary Mixtures of Ethanol and Water at Different Temperatures

Elsayed Abouelleef; Maii Mashaly

Volume 2, Issue 2. pp. 83-180 , March and April 2018, , Pages 93-102

http://dx.doi.org/10.22034/chemm.2018.58127

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
18. Theoretical Investigation on the Antitumor Drug: ThioTEPA and its Interaction with S-donor Biomolecules and DNA Purine Bases

Mehdi Nabati; Maliheh-alsadat Kermanian; Hossein Mohammadnejad-Mehrabani; Hadieh Rahbar Kafshboran; Maryam Mehmannavaz; Saman Sarshar

Volume 2, Issue 2. pp. 83-180 , March and April 2018, , Pages 128-140

http://dx.doi.org/10.22034/chemm.2018.56141

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
Study of Quantitative Structure-Activity Relationship (QSAR) of Diarylaniline Analogues as in Vitro Anti-HIV-1 Agents in Pharmaceutical Interest
19. Study of Quantitative Structure-Activity Relationship (QSAR) of Diarylaniline Analogues as in Vitro Anti-HIV-1 Agents in Pharmaceutical Interest

Youness Bouakarai; Fouad Khalil; Mohammed Bouachrin

Volume 1, Issue 2. pp. 87-193 , September and October 2017, , Pages 173-193

http://dx.doi.org/10.22631/chemm.2017.101407.1016

Abstract
  A study of quantitative structure-activity relationship (QSAR) is applied to a set of 24 molecules derived from diarylaniline to predict the anti-HIV-1 biological activity of the test ...  Read More