Asian Journal of Research in Chemistry

ISSN

0974-4150 (Online)
0974-4169 (Print)


Submit Article

Theoretical Functional Calculations (DFT) Studies of Structural Properties of 1-Benzoyl-3-[(2-benzyl Sulfanyl) phenyl]thiourea with Comparison of Experimental Data

Author(s): Shima Siahgali, Shahriar Ghammamy

Email(s): shghamamiii@yahoo.com

DOI: Not Available

Address: Shima Siahgali*, Shahriar Ghammamy
Department of Chemistry, Faculty of Science, Imam Khomeini International University, Qazvin, Iran.
*Corresponding Author

Published In:   Volume - 7,      Issue - 1,     Year - 2014


Keywords:

Cite this article:
Shima Siahgali, Shahriar Ghammamy. Theoretical Functional Calculations (DFT) Studies of Structural Properties of 1-Benzoyl-3-[(2-benzyl Sulfanyl) phenyl]thiourea with Comparison of Experimental Data. Asian J. Research Chem 7(1): January 2014; Page 62-66.

  View PDF



Recomonded Articles:

A study on Inhibitive action of Bauhinia racemosa Lam. Extract as Green Corrosion inhibitor for Mild steel in Hydrochloric acid medium

Author(s): R. Vasantha Jothi, P. Maheshwari, R. Saratha, D. Senthil Vadivu

DOI: 10.5958/0974-4150.2017.00102.X         Access: Open Access Read More

Molecular Geometry, Vibrational Assignments, HOMO-LUMO, Mulliken’s charge analysis and DFT Calculations of 2-(2-Phenylaminothiazole-5-oyl)1- methyl-6-methylbenzimidazole

Author(s): S. Sangeetha, T. F. Abbs Fen Reji

DOI: 10.5958/0974-4150.2018.00149.9         Access: Open Access Read More

Biosynthesis of Silver Nanoparticles by Aspergillus niger

Author(s): Adline Princy. S, Karthik. S, Malini. R

DOI:         Access: Open Access Read More

Structure Characterization, Spectroscopic investigation and Nonlinear Optical Study using Density Functional Theory of (E)-1-(4-Chlorophenyl)-3-(4-methylphenyl) prop-2-en-1-one

Author(s): Virupakshi M. Bhumannavar, Parutagouda Shankaragouda Patil, Neelamma B. Gummagol

DOI: 10.52711/0974-4150.2022.00019         Access: Open Access Read More

Normal Mode Analysis, Electronic Parameters and molecular docking study of 3, 5, 4’-Trihydroxy-6, 7-Dimethoxy-Flavone (Eupalitin) using First Principle

Author(s): Tanveer Hasan, Raza Murad Ghalib, Sayed Hasan Mehdi, P. K. Singh, S. S. R. Baqri

DOI: 10.5958/0974-4150.2017.00132.8         Access: Open Access Read More

4D-QSAR: New Perspectives in Drug Design

Author(s): Satyajit Dutta, Sagar Banik, Sovan Sutradhar, Sangya Dubey, Ira Sharma

DOI:         Access: Open Access Read More

Predictive QSAR models for the toxicity of Phenols

Author(s): Auteur Hamada Hakim

DOI: 10.52711/0974-4150.2022.00076         Access: Open Access Read More

Structural Properties, Natural Bond Orbital, Theory Functional Calculations (DFT), and Energies for the C13H10N4O2S Compounds

Author(s): Shahriar Ghammamy, Nastaran Sohrabi

DOI:         Access: Open Access Read More

The Preparation and Biological Evaluation of Some New 6-Iodo-2-Ethyl- 4(3H)-3 (5-Substituted Benzothiazole-2’-Yl) Quinazolinone Derivatives as an Anticonvulsant

Author(s): Dahikar G. D., Yeole P.G., Ganjiwale R.O., Rahangdale V.T.

DOI:         Access: Open Access Read More

Theoretical Functional Calculations (DFT) Studies of Structural Properties of 1-Benzoyl-3-[(2-benzyl Sulfanyl) phenyl]thiourea with Comparison of Experimental Data

Author(s): Shima Siahgali, Shahriar Ghammamy

DOI:         Access: Open Access Read More

Characterization, Modeling, Experimental Validation and Dielectric Properties Studies of a Ternary Composite (RE-BaTiO3-SiO2) Using Time Domain Spectroscopy

Author(s): Abdelhalim Brahimi, Nacerdine Bourouba, Rabah Delfouf , Juan Pablo Martinez Jiménez, Nacerdine Bouzit

DOI: 10.52711/0974-4150.2023.00023         Access: Open Access Read More

Asian Journal of Research in Chemistry (AJRC) is an international, peer-reviewed journal devoted to pure and applied chemistry..... Read more >>>

RNI: Not Available                     
DOI: 10.5958/0974-4150 

Quick Links

Latest Issues

Popular Articles


Recent Articles



Evaluation of Antianxiety Activity of Aqueous Leaves Extract of Rubia cordifolia on Rats
Green Chemistry and Sustainability in Analytical Chemistry
Automated and Paperless Qualification of HPLC Systems in Gxp Laboratories: A Digital Transformation Review
A Review on Biological Active Scaffold Isatin and its Derivatives
Carbazole: A Versatile Scaffold in Medicinal Chemistry – A Review on the Synthesis and Antimicrobial Evaluation of New Derivatives
Estimation of Clopidogrel bisulphate by Extractive Colorimetric Methods in Bulk and Pharmaceutical Dosage Form
Enhanced Anodes for Pollution-Free Intermediate Temperature Solid Oxide Fuel Cells
Pharmaceutico-analytical evaluation of Kushmanda Avaleha prepared as per Sharangadhara Samhita
Bioavailable Heavy Metal Fractions in Industrially Impacted Soils and the Imperative for Advanced Risk Assessment Models: A Critical Review
Advances in Pharmaceutical Research and Development through Artificial Intelligence and Machine Learning: A Review
Quorum Sensing: The Hidden Language of Bacteria and its Transformative Applications
Utilizing Zeolite materials in Biomedical applications
Comprehensive Review of Balarishta: A Polyherbal Fermented Formulation
In silico Evaluation of Cynodon dactylon Phytoconstituents against Cancer target 6JXT: Molecular Docking-Based Insights into Anticancer Potential
Quality Risk Management in Pharmaceutical Validation and Product Development
Molecular Docking Studies of selected Heterocyclic derivatives as Potential BRAF Inhibitors using MOE
Targeting InhA in Mycobacterium Tuberculosis: Recent Advances and Novel Scaffolds
Recent Advances in N-Heterocyclic Chemistry: Innovative Strategies for Pyrazole Derivative Synthesis
A Comprehensive Review on Techniques to Assess Thermal and Flammability behaviour of Materials
Green Chemistry Approaches in Pharmaceutical Synthesis

Tags


About Journal

Asian Journal of Research in Chemistry (AJRC) (ISSN: print-0974-4169, Online-0974-4150) is an international, peer-reviewed journal devoted to pure and applied chemistry. AJRC publishes Original Research Articles, Short Communications, Review Articles in all aspects of chemistry. Topics covered including the traditional areas of analytical, inorganic, organic, biochemistry, forensic, physical-theoretical chemistry as well as newer interdisciplinary areas such as agriculture, materials science, computational, medicine, spectroscopy, polymers, supramolecular, surface, chemical physics, biological, medicinal/ drugs, environmental and pharmaceutical chemistry.
The journal is published quarterly every year in last week of March, June, September and December. From January 2011, is monthly and shall be published every year in last week of Month.    
Read More  

Quick Links