Lakshmipathi S - Search Results

1

Gas adsorption efficacy of graphene sheets functionalised with carboxyl, hydroxyl and epoxy groups in conjunction with Stone-Thrower-Wales (STW) and inverse Stone-Thrower-Wales (ISTW) defects.

Lalitha M, Lakshmipathi S. Lalitha M, et al. Among authors: lakshmipathi s. Phys Chem Chem Phys. 2017 Nov 22;19(45):30895-30913. doi: 10.1039/c7cp06900f. Phys Chem Chem Phys. 2017. PMID: 29134994

2

Molecular properties of metal difluorides and their interactions with CO₂ and H₂O molecules: a DFT investigation.

Arokiyanathan AL, Lakshmipathi S. Arokiyanathan AL, et al. Among authors: lakshmipathi s. J Mol Model. 2017 Nov 18;23(12):345. doi: 10.1007/s00894-017-3511-9. J Mol Model. 2017. PMID: 29150809

3

Cation-Anion Interactions, Stability, and IR Spectra of Dicationic Amino Acid-Based Ionic Liquids Probed Using Density Functional Theory.

Shyama M, Lakshmipathi S. Shyama M, et al. Among authors: lakshmipathi s. J Mol Model. 2021 May 23;27(6):180. doi: 10.1007/s00894-021-04796-z. J Mol Model. 2021. PMID: 34023983

4

Hydrogen bonds in Zif268 proteins - a theoretical perspective.

Palanivel U, Lakshmipathi S. Palanivel U, et al. Among authors: lakshmipathi s. J Biomol Struct Dyn. 2016 Aug;34(8):1607-24. doi: 10.1080/07391102.2015.1085903. Epub 2015 Oct 20. J Biomol Struct Dyn. 2016. PMID: 26300286

5

Diethylaminophenol appended pyrimidine bis hydrazone for the sequential detection of Al³⁺ and PPi ions.

Anitha O, Thiruppathiraja T, Lakshmipathi S, Murugesapandian B. Anitha O, et al. Among authors: lakshmipathi s. Spectrochim Acta A Mol Biomol Spectrosc. 2023 Dec 5;302:123077. doi: 10.1016/j.saa.2023.123077. Epub 2023 Jun 29. Spectrochim Acta A Mol Biomol Spectrosc. 2023. PMID: 37413920

6

Intramolecular interactions (O-H∙∙∙O, C-H∙∙∙N, N-H∙∙∙π) in isomers of neutral, cation, and anion dopamine molecules: A DFT study on the influence of solvents (water and ethanol).

Sangeetha T, Lakshmipathi S. Sangeetha T, et al. Among authors: lakshmipathi s. J Mol Model. 2023 Feb 11;29(3):67. doi: 10.1007/s00894-023-05466-y. J Mol Model. 2023. PMID: 36773132

7

Green synthesis of benzimidazole derivatives by using zinc boron nitride catalyst and their application from DFT (B3LYP) study.

Mahalingam S, Murugesan A, Thiruppathiraja T, Lakshmipathi S, Makhanya TR, Gengan RM. Mahalingam S, et al. Among authors: lakshmipathi s. Heliyon. 2022 Nov 8;8(11):e11480. doi: 10.1016/j.heliyon.2022.e11480. eCollection 2022 Nov. Heliyon. 2022. PMID: 36387572 Free PMC article.

8

2D Co-anti-MXenes (CoB/CoP) as promising anode materials for magnesium-ion batteries in diglyme and triglyme electrolytes: a first-principles study.

Panjulingam N, Lakshmipathi S. Panjulingam N, et al. Among authors: lakshmipathi s. Phys Chem Chem Phys. 2025 Jan 15;27(3):1426-1436. doi: 10.1039/d4cp03358b. Phys Chem Chem Phys. 2025. PMID: 39698775

9

Aminothiophenol and 7-diethylamino-4-hydroxycoumarin derived probe for reversible turn off-on-off detection of Cu²⁺ ions and cysteine.

Suganthirani K, Thiruppathiraja T, Lakshmipathi S, Malecki JG, Murugesapandian B. Suganthirani K, et al. Among authors: lakshmipathi s. Spectrochim Acta A Mol Biomol Spectrosc. 2025 Feb 15;327:125315. doi: 10.1016/j.saa.2024.125315. Epub 2024 Oct 22. Spectrochim Acta A Mol Biomol Spectrosc. 2025. PMID: 39515231

10

Pyridine appended pyrimidine bis hydrazone: Zn²⁺/ATP detection, bioimaging and functional properties of its dinuclear Zn(II) complex.

Anitha O, Ghorai S, Thiruppathiraja T, Amir H, Murugan A, Natarajan R, Lakshmipathi S, Viswanathan C, Jothi M, Murugesapandian B. Anitha O, et al. Among authors: lakshmipathi s. Talanta. 2024 Jun 1;273:125900. doi: 10.1016/j.talanta.2024.125900. Epub 2024 Mar 14. Talanta. 2024. PMID: 38490021

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