Asian Journal of Research in Chemistry

ISSN

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


Submit Article

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

Author(s): Shahriar Ghammamy, Nastaran Sohrabi

Email(s): shghamami2012@yahoo.com

DOI: Not Available

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

Published In:   Volume - 6,      Issue - 2,     Year - 2013


Keywords:

Cite this article:
Shahriar Ghammamy, Nastaran Sohrabi. Structural Properties, Natural Bond Orbital, Theory Functional Calculations (DFT), and Energies for the C13H10N4O2S Compounds. Asian J. Research Chem. 6(2): February 2013; Page 114-116.

  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

An Investigation of nonlinear optical properties, electronic behaviour and structure-NLO relation of 1,3-Bis(3,4-dimethoxyphenyl)prop-2-en-1-one : A theoretical and computational study

Author(s): Ram Kumar, Poonam Tandon, P.S. Patil

DOI: 10.5958/0974-4150.2017.00015.3         Access: Open Access Read More

Physico-chemical, Biological properties, and Applications of Quinone, its Derivatives – A review

Author(s): Shrikaant Kulkarni

DOI: 10.5958/0974-4150.2018.00016.0         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

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

Square Planar Cobalt(II) complexes of chloro-substituted hydroxy-imino ligands containing sulphur

Author(s): Dilip C. Sawant, R.G. Deshmukh

DOI: 10.5958/0974-4150.2018.00056.1         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

Spectroscopic Investigation, HOMO-LUMO and Mulliken analysis of 2-[2-(Butylamino-4-phenylaminothiazol)-5-oyl]benzothiazole by DFT study.

Author(s): B. JiniKumari, T. F. Abbs Fen Reji

DOI: 10.5958/0974-4150.2017.00137.7         Access: Open Access Read More

Non-Isothermal Kinetics and Thermodynamics of Solid State Decomposition of Polyethylene Derivative

Author(s): P. Varshney, Vinod Kumar, S.K. Gururani

DOI:         Access: Open Access Read More

Synthesis, Identification of Some P-Chiral Organic Phosphoramidates and Their Inhibitory Action towards Enzymes

Author(s): Soram Ibomcha Singh, Shashi Prabha

DOI:         Access: Open Access Read More

Electronic Structure of Fullerene C60 and C70

Author(s): Bijender

DOI:         Access: Open Access Read More

Recovery and the quality of Gypsum from Natural and Artificial Pans of Various Salt-Ponds of Kanyakumari and Tuticorin Districts, Tamilnadu, India

Author(s): A. Kumaresan, C. Vaithyanathan

DOI: 10.5958/0974-4150.2016.00030.4         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

Synthesis, Characterization and DFT studies of 2-(2-phenylaminothiazole-5-oyl)-N-methyl-6-chlorobenzimidazole

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

DOI: 10.5958/0974-4150.2018.00151.7         Access: Open Access Read More

Synthesis, Crystal Structure, Spectral and Theoretical Studies of an New Organic-Inorganic Hybrid iron (II) Complex of Squarate Fe(C2O4).2H2O

Author(s): Sid Siham, Louiza Zenkhri, Ben Amor Loubna, Khalida Benouna, Ahmed Boutarfaia

DOI: 10.5958/0974-4150.2019.00038.5         Access: Open Access Read More

Review on Guassion, the General Purpose in Computational Chemistry for Medicinal Chemistry

Author(s): Shubham A. Nangare, Sachin H Rohane

DOI: 10.5958/0974-4150.2021.00015.8         Access: Open Access Read More

Synthesis and Characterization of Some Crown Ether Complexes of Tl(I) Ion

Author(s): Rajeev Ranjan, Poonam Bhardwaj, Seema Chitlangia, Jitesh Kumar Nayak

DOI: 10.5958/0974-4150.2016.00036.5         Access: Open Access Read More

Theoretical Prediction of Reactive Site of Aryl Halide for Suzuki Coupling Reaction

Author(s): R. Margabandu, K. Subramani

DOI:         Access: Open Access Read More

A Comparative Study of Conventional and Microwave Assisted Synthesis of Basic Heterocyclic Rings at Undergraduate Level

Author(s): Vijaya Vichare, Ashwini Sawant, Indira Gaud, Leena Patil, Vrushali Tambe

DOI:         Access: Open Access Read More

Reaction Intermediates for Microwave Irradiation Assisted Synthesis of N-Aryl Enaminoketones and their subsequent conversion to Quinolines: An experimental and DFT Study

Author(s): Avijit Banerji, Rina Saha, Nivedita Acharjee

DOI: 10.5958/0974-4150.2019.00023.3         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



Silico Methodologies Modelling of Aquatic Toxicity in Tetrahymena Pyriformis Via Aromatic Amines
In silico molecular docking against C-KIT Tyrosine Kinase and ADME studies of 3-Ethyl-2-(2,3,4-trifluoro-phenylimino)-thiazolidin-4-one derivatives
Modeling of Aquatic Toxicity of a Set of Phenols in Silico
An Overview of Imidazole, Derivatives Ofimidazole and its Pharmacological Applications
Synthesis and Characterization of Zirconium Oxide Nanoparticles using Sapindus mukorossi (Soapnut) as natural surfactant, A green synthetic approach
Use of Artificial Intelligence in Drug Discovery and its Application in Drug Development
Preparation and Evaluation of Viloxazine Hydrochloride Bilayer Matrix Tablets
Extraction of Silica from Different Sources of Agricultural Waste
An Overview on Ethnopharmacological, Phytochemical, and Clinical Significance of Selected Dietary Polyphenols
Harmful Effects of Different Classes of Heavy Metals in Our Beautiful Environment
Variation in Phenolic Composition, Antioxidant Activity and Cyclic Voltammetry Study of Juncus rigidus Desf. (Juncaceae) Root Extracts according Flowering and Ripening Period
Application of reactive dyes in Validation of favipiravir from pharmaceutical dosages
Performance Evaluation of Mentha longifolia Plant for Domestic Waste water Treatment under arid climate conditions (Tamanrasset region, Algeria)
To Assess Causality, Severity and Preventability of Adverse drug reactions of Amlodipine in the treatment of hypertension
Plant-based Isoquinoline Alkaloids: A Chemical and Pharmacological Profile of Some Important Leads
Validated RP-HPLC Method for Simultaneous Estimation of Perphenazine and Amitriptyline in Bulk and Tablet Dosage form
Characterization of treated and untreated Sawdust and its Valorization as Adsorbent
Modeling of Log Kow of a Series of PAHs using Computational Chemistry
Conventional and Modern Analytical Methods used for Algerian Honey Authentication
Evaluation of the Antilithiasic activity, Phospho-ammoniaco-magnésien of the aqueous extract of Fraxinus excelsior (L.)

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  

Visitors

Today: 536
Yesterday: 639
Total: 979936