| Experimental, computational analysis of Butein and Lanceoletin for natural dye-sensitized solar cells and stabilizing efficiency by IoT M Bradha, N Balakrishnan, A Suvitha, T Arumanayagam, M Rekha, ... Environment, Development and Sustainability, 1-16, 2021 | 116 | 2021 |
| FT-IR, FT-Raman, ab initio, HF and DFT studies, NBO, HOMO–LUMO and electronic structure calculations on 4-chloro-3-nitrotoluene M Govindarajan, M Karabacak, A Suvitha, S Periandy Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 89, 137-148, 2012 | 97 | 2012 |
| Molecular structure, vibrational spectra, NMR, UV, NBO, NLO, HOMO-LUMO and molecular docking of 2-(4, 6-dimethyl-1-benzofuran-3-yl) acetic acid (2DBAA): Experimental and … SM Hiremath, A Suvitha, NR Patil, CS Hiremath, SS Khemalapure, ... Journal of Molecular Structure 1171, 362-374, 2018 | 76 | 2018 |
| Vibrational frequency analysis, FT-IR, FT-Raman, ab initio, HF and DFT studies, NBO, HOMO–LUMO and electronic structure calculations on pycolinaldehyde oxime A Suvitha, S Periandy, S Boomadevi, M Govindarajan Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 117, 216-224, 2014 | 76 | 2014 |
| Synthesis of 5-(5-methyl-benzofuran-3-ylmethyl)-3H-[1, 3, 4] oxadiazole-2-thione and investigation of its spectroscopic, reactivity, optoelectronic and drug likeness properties … SM Hiremath, A Suvitha, NR Patil, CS Hiremath, SS Khemalapure, ... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 205, 95-110, 2018 | 53 | 2018 |
| NBO, HOMO–LUMO, UV, NLO, NMR and vibrational analysis of veratrole using FT-IR, FT-Raman, FT-NMR spectra and HF–DFT computational methods A Suvitha, S Periandy, P Gayathri Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 138, 357-369, 2015 | 40 | 2015 |
| The adsorption of 1-chloro-1, 2, 2, 2-tetrafluoroethane onto the pristine, Al-, and Ga-doped boron nitride nanosheet MD Mohammadi, HY Abdullah, A Suvitha Iranian Journal of Science and Technology, Transactions A: Science 45 (4 …, 2021 | 38 | 2021 |
| Spectral investigations of preferential solvation and solute–solvent interactions of 1, 4-dimethylamino anthraquinone in CH2Cl2/C2H5OH mixtures M Umadevi, A Suvitha, K Latha, BJM Rajkumar, V Ramakrishnan Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 67 (3-4 …, 2007 | 27 | 2007 |
| Theoretical investigation of intermolecular interactions between CNT, SiCNT and SiCGeNT nanomaterials with vinyl chloride molecule: A DFT, NBO, NCI, and QTAIM study AS Mohsen Doust Mohammadi a, Hewa Y. Abdullah b, Karwan W. Qadir c Diamond and Related Materials 131, 109602, 2023 | 13 | 2023 |
| Investigating the physicochemical properties and pharmacokinetics of curcumin employing density functional theory and gastric protection SW Qader, A Suvitha, M Ozdemir, I Benjamin, ASR Nsa, MU Akem, ... Chemical Physics Impact 5, 100130, 2022 | 12 | 2022 |
| Growth, optical, electrical properties and DFT studies on piperidinium 4-nitrophenolate NLO single crystal in acetone R Durgadevi, A Suvitha, T Arumanayagam Journal of Crystal Growth 582, 126512, 2022 | 12 | 2022 |
| Vibrational analysis using FT-IR, FT-Raman spectra and HF–DFT methods and NBO, NLO, NMR, HOMO–LUMO, UV and electronic transitions studies on 2, 2, 4-trimethyl pentane A Suvitha, S Periandy, M Govindarajan, P Gayathri Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 138, 900-912, 2015 | 12 | 2015 |
| Molecular Structure, ft-raman, ir, nlo, nbo, homo–lumo analysis, physicochemical descriptors, adme parameters, and pharmacokinetic bioactivity of 2, 3, 5, 6-tetrachloro-p … A Suvitha, MAM El-Mansy, G Kothandan, A Steephen Journal of Structural Chemistry 62, 1339-1356, 2021 | 11 | 2021 |
| Development of organic crystalline nature guanidinium nitrate (GuN): structural, frontier molecular orbital, optical, thermal, mechanical, theoretical and experimental SHG and … P Vivek, GS Kumar, A Steephen, ROMU Jauhar, A Suvitha, M Rekha, ... Journal of Materials Science: Materials in Electronics 32, 4493-4504, 2021 | 11 | 2021 |
| Toxicity, Pharmacokinetic Profile, and Compound-Protein Interaction Study of Polygonum minus Huds Extract SW Qader, M Ozdemir, I Benjamin, CM Chima, A Suvitha, JC Rani, ... Applied Biochemistry and Biotechnology 196 (5), 2425-2450, 2024 | 8 | 2024 |
| Novel La1− xCaxTi1− yTayO3-δ perovskites with enhanced conductivity for solid oxide fuel cell electrodes B Madhavan, A Suvitha, A Steephen Journal of Alloys and Compounds 915, 165370, 2022 | 8 | 2022 |
| Boosted electronic, optical, and NLO responses of homo P-nanoclusters via conducting polymeric substituents MAM El-Mansy, M Ibrahim, A Suvitha, H Abdelsalam, W Osman Computational and Theoretical Chemistry 1202, 113343, 2021 | 8 | 2021 |
| Exploring crystal, electronic, optical and NLO properties of ethyl 4-(3, 4-dimethoxy phenyl)-6-methyl-2-thioxo-1, 2, 3, 4-tetrahydro pyrimidine-5-carboxylate (MTTHPC) MAM El-Mansy, A Suvitha, B Narayana Optical and Quantum Electronics 53, 1-16, 2021 | 7 | 2021 |
| An organic hexamine p-nitrophenol crystal: Growth, optical, electrical, mechanical and density functional theoretical studies for nonlinear optical applications R Durgadevi, A Suvitha, A Steephen, T Arumanayagam Optical Materials 127, 112280, 2022 | 6 | 2022 |
| DFT calculations on polarizabilities and hyperpolarizabilities for the neutral and anionic yttrium oxide clusters A Suvitha, NS Venkataramanan Journal of Theoretical and Computational Chemistry 14 (07), 1550049, 2015 | 6 | 2015 |
