Vetrivelan V - Search Results

1

Nanoring interactions with bio-relevant molecule: A quantum chemical approach to C₁₈ and B₉N₉ systems.

Vishwkarma AK, Yadav T, Shakerzadeh E, Goswami S, Garai S, Vetrivelan V, Adam J, Pathak A. Vishwkarma AK, et al. Among authors: vetrivelan v. J Mol Graph Model. 2025 Jan 7;136:108949. doi: 10.1016/j.jmgm.2025.108949. Online ahead of print. J Mol Graph Model. 2025. PMID: 39805249

2

Stacking interactions in stabilizing supramolecular assembly of M[9C]₂M complexes: dynamic stability with remarkable nonlinear optical features.

Ahsin A, Qamar A, Kaviani S, Vetrivelan V. Ahsin A, et al. Among authors: vetrivelan v. Phys Chem Chem Phys. 2024 Dec 18;27(1):240-253. doi: 10.1039/d4cp04052j. Phys Chem Chem Phys. 2024. PMID: 39633568

3

Superalkali nature of the Si₉M₅ (M = Li, Na, and K) Zintl clusters: a theoretical study on electronic structure and dynamic nonlinear optical properties.

Ahsin A, Qamar A, Muthu S, Vetrivelan V, Cao J, Bian W. Ahsin A, et al. Among authors: vetrivelan v. RSC Adv. 2024 May 28;14(24):17091-17101. doi: 10.1039/d4ra02396j. eCollection 2024 May 22. RSC Adv. 2024. PMID: 38808233 Free PMC article.

4

Computational analysis of anti-cancer drug hydroxyurea adsorption on nanocages of gold, silver and copper: SERS and DFT assessment.

Kumaran S, Vetrivelan V, Muthu S, Al-Saadi AA. Kumaran S, et al. Among authors: vetrivelan v. Heliyon. 2024 Jan 10;10(5):e24475. doi: 10.1016/j.heliyon.2024.e24475. eCollection 2024 Mar 15. Heliyon. 2024. PMID: 38444468 Free PMC article.

5

Synthesis, spectroscopic, chemical reactivity, topology analysis and molecular docking study of ethyl 5-hydroxy-2-thioxo-4-(p-tolyl)-6-(trifluoromethyl)hexahydropyrimidine-5-carboxylate.

Umadevan I, Rajasekaran R, Anto Bennet M, Rajmohan V, Vetrivelan V, Sankar K, Raja M. Umadevan I, et al. Among authors: vetrivelan v. Heliyon. 2024 Jan 17;10(3):e24588. doi: 10.1016/j.heliyon.2024.e24588. eCollection 2024 Feb 15. Heliyon. 2024. PMID: 38322968 Free PMC article.

6

Surface enhanced Raman scattering investigation of tecovirimat on silver, gold and platinum loaded silica nanocomposites: Theoretical analysis (DFT) and molecular modeling.

G F N, V V, M G, S M, M P. G F N, et al. Among authors: v v. Heliyon. 2023 Oct 18;9(10):e21122. doi: 10.1016/j.heliyon.2023.e21122. eCollection 2023 Oct. Heliyon. 2023. PMID: 37916120 Free PMC article.

7

Absorption wavelength (TD-DFT) and adsorption of metal chalcogen clusters with methyl nicotinate: Structural, electronic, IRI, SERS, pharmacological and antiviral studies (HIV and omicron).

R S, Mahalakshmi S, Vetrivelan V, Irfan A, Muthu S. R S, et al. Among authors: vetrivelan v. Heliyon. 2023 May 13;9(5):e16066. doi: 10.1016/j.heliyon.2023.e16066. eCollection 2023 May. Heliyon. 2023. PMID: 37234664 Free PMC article.

8

Non-covalent interaction, adsorption characteristics and solvent effect of procainamide anti-arrhythmias drug on silver and gold loaded silica surfaces: SERS spectroscopy, density functional theory and molecular docking investigations.

Vetrivelan V, Sakthivel S, Muthu S, Al-Saadi AA. Vetrivelan V, et al. RSC Adv. 2023 Mar 23;13(14):9539-9554. doi: 10.1039/d3ra00514c. eCollection 2023 Mar 20. RSC Adv. 2023. PMID: 36968042 Free PMC article.

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