H – Bond interactions in water multimers and water multimers – Pyridine complexes: Natural bond orbital and reduced density gradient isosurface analyses
2023 · Journal of Molecular Liquids · 26 citations
https://doi.org/10.1016/j.molliq.2023.121524
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A. Elangovan
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A. Elangovan is an academic researcher from Madurai Kamaraj University. The author has contributed to research in topics: Electrochemical sensors and biosensors & Thermodynamic properties of mixtures & Crystallography and molecular interactions. The author has an h-index of 23, co-authored 81 publications.
ORCID: 0000-0001-6388-0728Papers by this author
worksAtoms in molecules theory, electrostatic potential surface and frontier molecular orbital analyses on water multimers and pyridine – Water hydrogen bonded complexes
2022 · Computational and Theoretical Chemistry · 16 citations
https://doi.org/10.1016/j.comptc.2022.113960
Hydrogen bond complexation of ethanol with chlorobenzene: FTIR studies
2024 · Physics and Chemistry of Liquids · 12 citations
https://doi.org/10.1080/00319104.2024.2344165
Conformers of 1,4-dioxane and their hydrogen bond complexation with methanol
2023 · Vibrational Spectroscopy · 11 citations
https://doi.org/10.1016/j.vibspec.2023.103519
Self-associates of 1,2,4-triazole: FTIR studies, quantum chemical calculations and topological analysis
2024 · Journal of Molecular Structure · 7 citations
https://doi.org/10.1016/j.molstruc.2024.138926
Acetic acid-benzaldehyde solutions: FTIR studies, DFT, isosurface, NBO and QTAIM analyses
2024 · Chemical Physics · 5 citations
https://doi.org/10.1016/j.chemphys.2024.112475
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