| Theoretical investigation of molecular interactions in dioxane and water using hydrogen bonding model and density functional method A Chaudhari, M Naganathappa, MN Shinde, AC Kumbharkhane International Journal of Quantum Chemistry 111 (12), 2972-2979, 2011 | 11 | 2011 |
| Theoretical infrared and electronic absorption spectra of C16H10 isomers, their ions and doubly ions M Naganathappa, A Chaudhari Monthly Notices of the Royal Astronomical Society 425 (1), 490-505, 2012 | 10 | 2012 |
| Energetics during proton transfer process in hydrated zündel ion complex G Meraj, M Naganathappa, A Chaudhari International Journal of Quantum Chemistry 112 (5), 1439-1448, 2012 | 6 | 2012 |
| Absorption and vibrational spectra of methylamine and its ions using quantum chemical methods M Naganathappa, A Chaudhari Advances in space research 45 (4), 521-526, 2010 | 5 | 2010 |
| Synthesis, structure, microstructure, and electrical properties of Ce0. 81Nd0. 095Sm0. 095O2− δ S Ramesh, M Naganathappa, J Vemula Boletín de la Sociedad Española de Cerámica y Vidrio 61 (5), 428-438, 2022 | 4 | 2022 |
| Spectroscopic characterization of cysteine and methionine using density functional theory method M Naganathappa, A Chaudhari Astrophysics and Space Science 357, 1-14, 2015 | 4 | 2015 |
| Infrared and electronic absorption spectra of n-butyronitrile and its ions using Møller Plesset method M Naganathappa, A Chaudhari Journal of molecular modeling 17, 1695-1705, 2011 | 4 | 2011 |
| Mono, di, tri and tetraethylene glycol: Spectroscopic characterization using density functional method and experiment M Naganathappa, A Chaudhari Vibrational Spectroscopy 95, 7-15, 2018 | 3 | 2018 |
| Spectroscopic characterization of aminoacetonitrile, its ions and protonated aminoacetonitrile using quantum chemical methods M Naganathappa, A Chaudhari International Journal of Quantum Chemistry 111 (9), 2064-2071, 2011 | 3 | 2011 |
| Many-body analysis and spectroscopic characterization of diazene oligomers: A theoretical study S Kaluva, VL Karri, B Kharat, M Naganathappa Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 287, 121957, 2023 | 2 | 2023 |
| Spectroscopy and second hyperpolarizability of odd spin states of acetonitrile: Theoretical study B Kharat, M Naganathappa, V Jagrut, A Chaudhari Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 265, 120389, 2022 | 2 | 2022 |
| Hydrogen-bonded cluster of nitroxyl: many-body analysis and spectroscopic characterization B Kharat, M Naganathappa, S Ramesh, A Chaudhari Structural Chemistry 32 (3), 1163-1170, 2021 | 2 | 2021 |
| Mono and di-substituted ammonia borane: A computational study M Naganathappa, T Qureshi, A Chaudhari Journal of Molecular Liquids 211, 776-783, 2015 | 2 | 2015 |
| Monosubstituted acetonitriles: Structure, spectroscopic characterization and hyperpolarizabilities V Deshmukh, M Naganathappa, B Kharat, A Chaudhari Optical Materials 35 (3), 353-360, 2013 | 2 | 2013 |
| Effect of Ionization on Infrared and Electronic Absorption Spectra of Methyl and Ethyl Formate in the Gas Phase and in Astrophysical H2O Ice: A Computational Study M Naganathappa, A Chaudhari The Journal of Physical Chemistry A 115 (18), 4743-4756, 2011 | 2 | 2011 |
| Infrared and electronic absorption spectra of formaldehyde in gas phase and astrophysical H2O ice M Naganathappa, S Waghmare, A Chaudhari Astrophysics and Space Science 332, 249-256, 2011 | 2 | 2011 |
| Nonlinear optical properties and spectroscopic characterization of Y-shaped polymer using quantum chemical approach M Naganathappa, S Ravula, B Kolli, A Chaudhari Journal of Molecular Modeling 26 (11), 299, 2020 | 1 | 2020 |
| DFT and TD‐DFT Study of Many‐Body and Hydrogen Bonding Interactions: Nitrosamine Oligomers S Kaluva, B Kharat, N Wadnerkar, M Naganathappa ChemistrySelect 9 (18), e202303885, 2024 | | 2024 |
| Understanding diazirine oligomers: A theoretical investigation of solvent effects and molecular properties S Kaluva, M Naganathappa Optical Materials 149, 114873, 2024 | | 2024 |
| Theoretical study of amines containing molecules in the gas and water solvent VL Karri, S Kaluva, M Naganathappa Advances in Space Research 73 (1), 1131-1148, 2024 | | 2024 |
