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Mirtunjai Mishra

Observed name: Mishra, Mirtunjai
ORCID: 0000-0003-1762-9350
Observed ORCID: 0000-0003-1762-9350
OpenAlex ID: A5077448104
Electronic, optical and spectroscopic properties of N-dialkyl-imidazolium hexafluorophosphate (CNMIM.PF6) ionic liquid crystal molecules investigated by computational methods
2023 · Varsha Gautam, Mirtunjai Mishra, et al. · Journal of Molecular Modeling · 14
A theoretical investigation of nonlinear optical and electronic molecular parameters of hexabutyloxytryphenylene and halogenated hexabutyloxytryphenylene molecules using density functional theory (DFT) for nonlinear device applications
2022 · Bhavna Pal, Mirtunjai Mishra, et al. · Physica Scripta · 10
Quantum mechanical studies of p -azoxyanisole and identification of its electro-optic activity
2023 · Manish Kumar, Mirtunjai Mishra, et al. · Physical Chemistry Chemical Physics · 8
DFT-based Study of Electric Field Effect on the Polarizability of Three Ringed Nematic Liquid Crystal Molecules
2020 · Upadhyay, Pranav, Mishra, Mirtunjai, et al. · Makara Journal of Science · 4
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Theoretical prediction (DFT) and experimental observation of electronic and electro-optical properties of HATn (n = 5,6,7,8) molecules for optoelectronic applications
2024 · Mirtunjai Mishra, Bhavna Pal, et al. · Physica Scripta · 3
Enhancement of electro‐optical and non‐linear optical parameters of halogenated hexahexyloxytriphenylene (HAT6) molecule: A computational approach
2024 · Mirtunjai Mishra, Devesh Kumar, et al. · ChemistrySelect · 3
Variations in the charge-transport, nonlinear optical, and electro-optical properties of RM734 due to halogenation: a quantum mechanical study
2024 · Manish Kumar, Mirtunjai Mishra, et al. · New Journal of Chemistry · 3
Physical, chemical, optical and insulating properties of alkyl benzoic acid derivatives liquid crystal due to extension alkyl chain (CNH2N+1) length: A DFT study
2023 · Mirtunjai Mishra, Narinder Kumar, et al. · Kragujevac Journal of Science · 3
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Density Functional Theory (DFT) Study of a Binary Mixture of MBBA and PAA Liquid Crystal for THz Application
2022 · Mishra, Mirtunjai, Kumar, Narinder, et al. · Makara Journal of Science · 3
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DFT study of difluoro & trifluoro bi-cyclohexane based dimer for application in electronic and optical devices
2024 · Mirtunjai Mishra, Manish Kumar, et al. · Journal of Molecular Liquids · 2
Interaction of environmental pollutants with HAT6 molecule: A DFT study for chemical sensing
2026 · Devendra Singh, Devesh Kumar, et al. · Computational and Theoretical Chemistry · 1
Synthesis and Anticancer Evaluation of Methoxy‐Substituted Chalcone Hybrids: DFT, Molecular Docking, and ADME Studies
2026 · Anil Kumar Gautam, Saurabh Kumar, et al. · ChemistrySelect
Fluorine-engineered thienyl-fused non-fullerene acceptors based on as-indacene for high-performance organic solar cells: a DFT study
2026 · Sandeep Kumar, Anjali Singh, et al. · RSC Advances
Metal Oxide Nanomaterials for Industrial Wastewater Treatment
2025 · Nidhi Awasthi, Neelam Gautam, et al. · CRC Press eBooks
Engineering Methoxy-Substituted Combretastatin-Chalcone Hybrids: Synthesis, Anticancer Evaluation, DFT, Molecular Docking, and ADME Studies
2025 · Anil Kumar Gautam, Saurabh Kumar, et al. · SSRN Electronic Journal
Role of Molecular Modelling in Sustainable Development
2024 · Mirtunjai Mishra, Rolly Yadav, et al. · Springer eBooks
Works count: 17
Citation count: 53
H-index: 4
I10-index: 2
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