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Author

Mahadevappa Naganathappa

Institution: GITAM University
ORCID: 0000-0003-4718-425X
Observed ORCID: 0000-0003-4718-425X
OpenAlex ID: A5031130870
Theoretical investigation of molecular interactions in dioxane and water using hydrogen bonding model and density functional method
2010 · Ajay Chaudhari, Mahadevappa Naganathappa, et al. · International Journal of Quantum Chemistry · 15
Theoretical infrared and electronic absorption spectra of C 16 H 10 isomers, their ions and doubly ions
2012 · Mahadevappa Naganathappa, Ajay Chaudhari · Monthly Notices of the Royal Astronomical Society · 10
Energetics during proton transfer process in hydrated zündel ion complex
2011 · Gulafroz Meraj, Mahadevappa Naganathappa, et al. · International Journal of Quantum Chemistry · 9
Theoretical investigation of NLO and spectroscopic properties of halogenated aniline
2023 · Sumalya Kaluva, Venkata Lakshmi Karri, et al. · Optical and Quantum Electronics · 7
Synthesis, structure, microstructure, and electrical properties of Ce0.81Nd0.095Sm0.095O2−δ
2021 · Somoju Ramesh, Mahadevappa Naganathappa, et al. · Boletín de la Sociedad Española de Cerámica y Vidrio · 7
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Mono, di, tri and tetraethylene glycol: Spectroscopic characterization using density functional method and experiment
2017 · Mahadevappa Naganathappa, Ajay Chaudhari · Vibrational Spectroscopy · 6
Many-body analysis and spectroscopic characterization of diazene oligomers: A theoretical study
2022 · Sumalya Kaluva, Venkata Lakshmi Karri, et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 5
Nonlinear optical properties and spectroscopic characterization of Y-shaped polymer using quantum chemical approach
2020 · Mahadevappa Naganathappa, Sampath Ravula, et al. · Journal of Molecular Modeling · 5
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Absorption and vibrational spectra of methylamine and its ions using quantum chemical methods
2009 · Mahadevappa Naganathappa, Ajay Chaudhari · Advances in Space Research · 4
Theoretical study of aromatic and N-heterocycles: Potential carriers of interstellar aromatic infrared bands
2025 · Venkata Lakshmi Karri, Takashi Onaka, et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 3
Spectroscopy and second hyperpolarizability of odd spin states of acetonitrile: Theoretical study
2021 · Bhagwat Kharat, Mahadevappa Naganathappa, et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 3
Hydrogen-bonded cluster of nitroxyl: many-body analysis and spectroscopic characterization
2021 · Bhagwat Kharat, Mahadevappa Naganathappa, et al. · Structural Chemistry · 3
Theoretical and experimental study of dimethyl sulfoxide and N-substituted DMSO
2019 · Mahadevappa Naganathappa, Ajay Chaudhari · Indian Journal of Pure & Applied Physics · 3
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
2011 · Mahadevappa Naganathappa, Ajay Chaudhari · The Journal of Physical Chemistry A · 3
Infrared and electronic absorption spectra of n-butyronitrile and its ions using Møller Plesset method
2010 · Mahadevappa Naganathappa, Ajay Chaudhari · Journal of Molecular Modeling · 3
Spectroscopic signatures, many-body interactions, and cooperativity in azirine oligomers: a theoretical study
2025 · Sumalya Kaluva, Mahadevappa Naganathappa · Physica Scripta · 2
DFT and TD‐DFT Study of Many‐Body and Hydrogen Bonding Interactions: Nitrosamine Oligomers
2024 · Sumalya Kaluva, Bhagwat Kharat, et al. · ChemistrySelect · 2
Understanding diazirine oligomers: A theoretical investigation of solvent effects and molecular properties
2024 · Sumalya Kaluva, Mahadevappa Naganathappa · Optical Materials · 2
Theoretical study of amines containing molecules in the gas and water solvent
2023 · Venkata Lakshmi Karri, Sumalya Kaluva, et al. · Advances in Space Research · 2
Theoretical study of infrared and ultraviolet spectra of 14 isomers of C24 and comparison with astronomical observations
2022 · Venkata Lakshmi Karri, Sumalya Kaluva, et al. · Monthly Notices of the Royal Astronomical Society · 2
Spectroscopic characterization of cysteine and methionine using density functional theory method
2015 · Mahadevappa Naganathappa, Ajay Chaudhari · Astrophysics and Space Science · 2
Monosubstituted acetonitriles: Structure, spectroscopic characterization and hyperpolarizabilities
2012 · Vinayak Deshmukh, Mahadevappa Naganathappa, et al. · Optical Materials · 2
Spectroscopic characterization of aminoacetonitrile, its ions and protonated aminoacetonitrile using quantum chemical methods
2010 · Mahadevappa Naganathappa, Ajay Chaudhari · International Journal of Quantum Chemistry · 2
New phenylcyclopropane-carbohydrazide furan derivatives with potent anticancer activity and EGFR inhibitory potential
2026 · Suresh Patagani, Kolli Balakrishna, et al. · RSC Advances · 1
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C 20 and nitrogen-substituted fullerenes: anharmonic IR and UV-vis spectra for astrophysical environments
2025 · Venkata Lakshmi Karri, Ajay Chaudhari, et al. · RSC Advances · 1
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Works count: 39
Citation count: 108
H-index: 6
I10-index: 2
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