Advanced search
Publication Cover
Polycyclic Aromatic Compounds Volume 42, 2022 - Issue 5
Submit an article Journal homepage
221
Views
12
CrossRef citations to date
0
Altmetric
Research Articles

Detailed Quantum Mechanical Studies on Three Bioactive Benzimidazole Derivatives and Their Raman Enhancement on Adsorption over Graphene Sheets

Y. Shyma Marya Department of Physics, Fatima Mata National College (Autonomous), Kollam, Kerala, India
,
Veena S. Kumarb Department of Physics, SN College, Kollam, Kerala, India;c Research Centre, University of Kerala, Thiruvananthapuram, Kerala, India
,
Y. Sheena Marya Department of Physics, Fatima Mata National College (Autonomous), Kollam, Kerala, India
,
Resmi K. S.a Department of Physics, Fatima Mata National College (Autonomous), Kollam, Kerala, India
&
Renjith Thomasd Department of Chemistry, St. Berchmans College (Autonomous), Changanassery, Kerala, IndiaCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0003-0011-633X
ORCID Icon
Pages 2581-2590 | Received 09 Mar 2020, Accepted 18 Oct 2020, Published online: 24 Nov 2020

Citations (12)

Keep up to date with the latest research on this topic with citation updates for this article.

Subscribe to citation updates

Read on this site (3)

Jamelah S. Al-Otaibi, Y. Sheena Mary, Shyma Mary, Asmita Mondal & Nivedita Acharjee. (2023) DFT analysis on the adsorption of melamine in Ga12-N12/P12 nanocages: solvent effects, SERS analysis, reactivity properties. Journal of Biomolecular Structure and Dynamics 41:18, pages 8844-8855.
Read now
Jamelah S. Al-Otaibi & Y. Sheena Mary. (2023) Computational Studies, GERS, Photovoltaic Modelling and Molecular Docking Studies of Diethylstilbestrol and Its Methyl Ether. Polycyclic Aromatic Compounds 43:2, pages 1871-1878.
Read now
Zakir Ullah, Prasad M. Sonawane, Y. Sheena Mary, Y. Shyma Mary, Pratap Mane, Brahmananda Chakraborty & David G. Churchill. (2022) Theoretical model study of adsorbed antimalarial-graphene dimers: doping effects, photophysical parameters, intermolecular interactions, edge adsorption, and SERS. Journal of Biomolecular Structure and Dynamics 40:24, pages 13581-13592.
Read now

Articles from other publishers (9)

Zehra Seba Keskin, Zeynep Mine Şenol, Savaş Kaya & Selçuk Şimşek. (2023) Prunus mahaleb shell as a sustainable bioresource for carminic acid removal from aqueous solution: Experimental and theoretical studies. Journal of Molecular Structure 1275, pages 134618.
Crossref
Jamelah S. Al-Otaibi, Y. Sheena Mary, Y. Shyma Mary, Martin Krátký, Jarmila Vinsova & Maria Cristina Gamberini. (2023) DFT, TD-DFT and SERS analysis of a bioactive benzohydrazide’s adsorption in silver hydrosols at various concentrations. Journal of Molecular Liquids 373, pages 121243.
Crossref
Jamelah S.Al-Otaibi, Y.Sheena Mary, Y.Shyma Mary, Asmita Mondal, Nivedita Acharjee & S. Balachandar. (2022) Investigation of the adsorption of a DNA based purine derivative on N/B-doped coronene and coronene by means of DFT and NCI interaction analysis. Journal of Molecular Liquids 367, pages 120373.
Crossref
Stevan Armaković, Đorđe Mirjanić, Svetlana S. Pelemiš & Sanja J. Armaković. (2022) Understanding interactions between graphene and local anesthetic molecules applied in dentistry – Towards the prolonged effects of local anesthesia. Journal of Molecular Liquids 366, pages 120301.
Crossref
Jamelah S. Al-Otaibi, Y. Sheena Mary, Yohannan Shyma Mary, Nivedita Acharjee & David G. Churchill. (2022) Theoretical study of glycoluril by highly symmetrical magnesium oxide Mg12O12 nanostructure: adsorption, detection, SERS enhancement, and electrical conductivity study. Journal of Molecular Modeling 28:10.
Crossref
Jovana Stanojev, Stevan Armaković, Sara Joksović, Branimir Bajac, Jovan Matović & Vladimir V. Srdić. (2022) Comprehensive Study of the Chemistry behind the Stability of Carboxylic SWCNT Dispersions in the Development of a Transparent Electrode. Nanomaterials 12:11, pages 1901.
Crossref
Ebru Koçak Aslan, Vagolu Siva Krishna, Sanja J. Armaković, Stevan Armaković, Onur Şahin, Tone Tønjum & Miyase Gözde Gündüz. (2022) Linking azoles to isoniazid via hydrazone bridge: Synthesis, crystal structure determination, antitubercular evaluation and computational studies. Journal of Molecular Liquids 354, pages 118873.
Crossref
Jamelah S. Al-Otaibi, Y. Sheena Mary & Y. Shyma Mary. (2022) DFT analysis of valproic acid adsorption onto Al12/B12-N12/P12 nanocages with solvent effects. Journal of Molecular Modeling 28:4.
Crossref
Jamelah S. Al-Otaibi, Y. Sheena Mary, Y. Shyma Mary, Ravi Trivedi & Brahmananda Chakraborty. (2021) Theoretical investigation on the adsorption of melamine in Al12/B12-N12/P12 fullerene-like nanocages: a platform for ultrasensitive detection of melamine. Chemical Papers 76:1, pages 225-238.
Crossref

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Order Reprints Request Corporate Permissions

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

Request Academic Permissions

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.

Related research

People also read lists articles that other readers of this article have read.

Recommended articles lists articles that we recommend and is powered by our AI driven recommendation engine.

Cited by lists all citing articles based on Crossref citations.
Articles with the Crossref icon will open in a new tab.