Asian Journal of Research in Chemistry

ISSN

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


Submit Article

Density Functional Theory (DFT) Study of Methyl 2-methoxycyclohex-3-ene-1-carboxylate for structure optimization, transition state, vibrational, electronic and PES scan

Author(s): Koustubh Jagtap, Kiran Zinjurate, Rahul Ligade, Rahul Bhondwe

Email(s): rsbchem2020@gmail.com

DOI: 10.52711/0974-4150.2023.00034

Address: Koustubh Jagtap, Kiran Zinjurate, Rahul Ligade, Rahul Bhondwe*
Post graduate department of Chemistry, Tuljaram Chaturchand College, Baramati, Pune 413102, Maharashtra, India.
*Corresponding Author

Published In:   Volume - 16,      Issue - 3,     Year - 2023


Keywords:

Cite this article:
Koustubh Jagtap, Kiran Zinjurate, Rahul Ligade, Rahul Bhondwe. Density Functional Theory (DFT) Study of Methyl 2-methoxycyclohex-3-ene-1-carboxylate for structure optimization, transition state, vibrational, electronic and PES scan. Asian Journal of Research in Chemistry 2023; 16(3):216-0. doi: 10.52711/0974-4150.2023.00034

  Purchase PDF



Recomonded Articles:

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

Synthesis and Structure-Activity Relationship Study of Novel Isoxazole derivatives as Promising Antioxidants

Author(s): Chithra. V.S, Abbs Fen Reji. T.F, Brindha. J

DOI: 10.5958/0974-4150.2018.00014.7         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

Measurement, Correlation and DFT study for Solubility of Glutaric acid in Water + Ethanol binary solvents at T = (293.15 to 313.15) K

Author(s): R. R. Pawar, S. B. Nahire

DOI: 10.5958/0974-4150.2020.00033.4         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: Closed Access Read More

Structural, Mechanical and Thermodynamic properties of Manganese Monocarbide (MnC) in ZnS phase under High Pressure: a DFT Study

Author(s): Ilhem Djaghout, Rabah Ksouri, Rafik Maizi, Abdel Ghani Boudjahem, Meryem Derdare

DOI: 10.52711/0974-4150.2022.00074         Access: Closed Access Read More

Density Functional Theory (DFT) Study of Methyl 2-methoxycyclohex-3-ene-1-carboxylate for structure optimization, transition state, vibrational, electronic and PES scan

Author(s): Koustubh Jagtap, Kiran Zinjurate, Rahul Ligade, Rahul Bhondwe

DOI: 10.52711/0974-4150.2023.00034         Access: Closed 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



Assessment of Thiruvarur region groundwater samples using Physicochemical parameters
Inhibition of α-glucosidase activity by polyphenol compounds from C. occidentalis: Phytochemical screening and antidiabetic studies
Benzene System: A Theoretical Exploration of its Secular Determinant, π-Energy, Delocalization Energy, Wave Functions, Electron Density, and Charge Density
Determination of bio-accumulated Cd, Cr, Cu, Ni and Pb in a wild plant Lantana camara L. Verbenaceae, grown on waste dump site and assessment of its phyto-extraction potential for studied metals
Bio- accumulation of Cd, Cr, Cu, Ni and Pb in a wild grass, Parthenium hysterophorus L. Asteraceae, growing naturally on barren land and evaluation of phyto-extraction potential of the plant for studied metals
A. Chemistry Corrosion potential of reinforced EDTA Zn-Fe Alloy in Acidic and Basic medium.
Chromotag application in quantification of alogliptin
The vast scientific vision and scientific ingenuity in the field of nanofiltration, nanotechnology and water sustainability- A state of the art review
Benzimidazole: A Promising target for the development of novel drug molecules against breast cancer
Modeling of Inhibition of Tetrahymena pyriformis growth by Aliphatic Alcohols and Amines pollution of l’ environmental
Arogyavardhini Pottali – A unique Dosage Form of Ayurveda
Mechanism and solvent kinetics of acid catalysed Hydrolysis of Propyl Methanoate in Binary-Solvent system of water and Propanol-2
Human Organic Cation Transporter Use and Drug Target Responses
Estimation and Validation of Finerenone in Dosage Form and in Bulk Drug by Spectrophotometric Method
Density Functional Theory (DFT) Study of Methyl 2-methoxycyclohex-3-ene-1-carboxylate for structure optimization, transition state, vibrational, electronic and PES scan
Looming another global crisis-Monkeypox:Plan of action for third world countries
Comparison between Iron and Cobalt Clusters in Terms of Chemical Catalysis
Estimation and Validation of Abrocitinib Dosage Form and in Bulk Drug by Spectrophotometric Method
A Novel Route of Synthesis of High Efficiency Pharmaceutical Intermediate and Insecticide Chemical 2, 6-Difluoroaniline
Reverse Phase High Performance Liquid Chromatography for Validation of Epinastine Hydrochloride in Bulk and Pharmaceutical Dosage Form

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: 714
Yesterday: 933
Total: 1149736