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@article{204858,
        author = {Ravi H R and Divya A C and Prasad N Bapat and H R Sreepad},
        title = {Study of Structural Simulation, Dielectric and Electronic Properties of Pyrazine-2, 3-dicarboxamide},
        journal = {International Journal of Innovative Research in Technology},
        year = {2026},
        volume = {13},
        number = {1},
        pages = {4323-4326},
        issn = {2349-6002},
        url = {https://ijirt.org/article?manuscript=204858},
        abstract = {The Pyrazine-2,3-dicarboxamide structure has been simulated and optimized using energy minimization technique of First-principles calculations based on DFT. The optimized structure of Pyrazine-2,3-dicarboxamide is matching very well with the structural parameters reported in the literature. Electron density of states calculation has been done which gives a Band gap of 1.6eV. The Phonon modes and Dielectric constant have been computed. Phonon modes at gamma point have also been computed in Pyrazine-2,3-dicarboxamide and they come out to be 151cm-1 to 3522cm-1. The value of dielectric constant in Pyrazine-2,3-dicarboxamide comes out to be 2.94, 3.08 and 2.78 along X, Y and Z axes respectively and the average value comes out to be 2.93.},
        keywords = {Electron density of states, Band gap, Dielectric constant. Phonon modes, Pyrazine-2,3-dicarboxamide, First-principles calculation.},
        month = {June},
        }