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  1. Synthesis, Structural Analysis, and Computational Investigations of 4-(((5-(p-chlorophenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl) methylene)amino)-5-methyl-4H-1,2,4-triazole-3-thione

    Article • Journal of Molecular Structure, October 2025, Elsevier

    Dr. N R Sreenatha

  2. X-ray structural insights and computational analysis of the compound 5-ethyl-4-[(4-morpholinobenzylidene)amino]-2,4-dihydro-3H-1,2,4-triazole-3-thione

    Article • Acta Crystallographica Section E Crystallographic Communications, June 2025, International Union of Crystallography

    Dr. N R Sreenatha

  3. Novel Aryl Substituted sulfonyl piperazine derivatives: Tandem one-pot multi component synthesis via palladium catalyzed Suzuki-Miyaura cross coupling, structure studies and evaluation of anticancer activity

    Article • Journal of Molecular Structure, June 2025, Elsevier

    Dr. N R Sreenatha

  4. Synthesis, structure elucidation and computational analysis of a novel organic crystal: 2-bromo-3-(p-bromobenzenesulfonyl)-5,5-dimethyl -cyclohexanone

    Article • Chemical Physics Impact, June 2025, Elsevier

    Dr. N R Sreenatha

  5. Synthesis and comparative investigations of DFT/B3LYP, B3PW91, CAM-B3LYP and HSEH1PBE methods applied to molecular structure, spectroscopic analysis, electronic properties of a novel hydrazone having triazole and pyrazole moiety

    Article • Results in Chemistry, March 2025, Elsevier

    Dr. N R Sreenatha

  6. Structure elucidation, DFT and IRI computational investigations of a novel 4-(3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile

    Article • Journal of Molecular Structure, March 2024, Elsevier

    Dr. N R Sreenatha

  7. Structural, Hirshfeld surface and three-dimensional interaction-energy studies of 1,3,5-triethyl 2-amino-3,5-dicyano-4,6-bis(4-fluorophenyl)cyclohex-1-ene-1,3,5-tricarboxylate

    Article • Acta Crystallographica Section E Crystallographic Communications, April 2023, International Union of Crystallography

    Dr. N R Sreenatha

  8. Synthesis, structural and computational studies of a novel anionic synthon and its derivatives

    Article • Journal of Molecular Structure, March 2023, Elsevier

    Dr. N R Sreenatha

  9. Structural characterization, 3D-interaction energy and in-vitro antimicrobial studies of 1-(2-chloroacetyl)-3,5-dimethyl-2,6-bis(3,4,5-trimethoxyphenyl)piperidin-4-one

    Article • Journal of Molecular Structure, February 2023, Elsevier

    Dr. N R Sreenatha

  10. Structural, Hirshfeld surface and three-dimensional interaction energy studies of 2-(6-iodo-4-oxo-3,4-dihydroquinazolin-3-yl)ethanesulfonyl fluoride

    Article • Acta Crystallographica Section E Crystallographic Communications, January 2023, International Union of Crystallography

    Dr. N R Sreenatha

  11. X-ray structure, hirshfeld surfaces and interaction energy studies of 2,2-diphenyl-1-oxa-3-oxonia-2-boratanaphthalene

    Article • Heliyon, August 2022, Elsevier

    Dr. N R Sreenatha

  12. Structural Investigation, Hirshfeld Surfaces and 3D Interaction Energy Analysis of the Compound 3-aryl-2-cyanoprop-2-enoic Acid

    Article • European Journal of Applied Physics, July 2022, European Open Access Publishing (Europa Publishing)

    Dr. N R Sreenatha

  13. Structural, Computational and 3D Interaction Energy Calculations of the Compound 2-chloro-3-(1-napthyl)-5,5-dimethyl-2-cyclohexenone

    Article • Crystallography Reports, April 2022, Pleiades Publishing Ltd

    Dr. N R Sreenatha

  14. Structural, Hirshfeld surface studies and computation of interaction energies of 4-Amino-N-(3-chloropyrazin-2-yl)benzene-1-Sulfonamide organic compound

    Article • Materials Today Proceedings, January 2022, Elsevier

    Dr. N R Sreenatha

  15. Structural characterization, computational, charge density studies of 2-chloro-3-(2’-methoxy)-5,5-dimethyl-2-cyclohexenone

    Article • Journal of Molecular Structure, February 2021, Elsevier

    Dr. N R Sreenatha

  16. Crystal, spectral characterization, molecular docking, Hirshfeld computational studies and 3D-energy framework analysis of a novel puckered compound (C14H15Cl O): 2-Chloro-3-phenyl-5,5-dimethylcyclohex-2-en-1-one

    Article • Journal of Molecular Structure, June 2020, Elsevier

    Dr. N R Sreenatha

  17. Structural and Hirshfeld surfaces of thiophene based isoxazole derivatives: 3-(3-Methylthiophen-2-yl)-5-(3,4,5-trimethoxyphenyl)isoxazole and 5-(3-Methylthiophen-2-yl)-3-(3,4,5-trimethoxyphenyl)isoxazole

    Article • Chemical Data Collections, December 2018, Elsevier

    Dr. N R Sreenatha

  18. Crystal structure and Hirshfeld surface analysis of (E)-1-(3,5-dichloro-2-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one

    Article • Acta Crystallographica Section E Crystallographic Communications, September 2018, International Union of Crystallography

    Dr. N R Sreenatha

  19. Crystal Structure and Hirshfeld Surfaces of (<i>E</i>)-1-(2-Hydroxyphenyl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one

    Article • X-ray Structure Analysis Online, June 2018, Japan Society for Analytical Chemistry

    Dr. N R Sreenatha

  20. Crystal Structure of (4-Fluorophenyl)(2-(methylthio)thiophen-3-yl)methanone

    Article • X-ray Structure Analysis Online, January 2018, Japan Society for Analytical Chemistry

    Dr. N R Sreenatha

  21. Spectral studies, crystal structure, molecular docking and Hirshfeld surfaces computational studies of 3-(3-Bromophenyl)-5-(4- methoxyphenyl) isoxazole

    Article • Chemical Data Collections, December 2017, Elsevier

    Dr. N R Sreenatha