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Publications by G. Bharathy
Molecular Conformational Analysis, Vibrational Spectra, NBO, HOMO–LUMO and Molecular Docking of Modafinil Based on Density Functional Theory
International Journal of Current Research and Review
Biochemistry
Agricultural
Genetics
Molecular Biology
Biological Sciences
Related publications
Vibrational Spectra, First Orderhyperpolarizability, HOMO-LUMO and Molecularelectrostatic Potential Analysis of Methyl-2-Hydroxy-4-Methoxybenzoate
International Journal for Research in Applied Science and Engineering Technology
HOMO-LUMO, NBO and Vibrational Analysis of Sitagliptin by Using DFT Calculations and Experimental Study (FT-IR, FTRaman and UV-Visible Spectroscopies)
International Journal of ChemTech Research
Chemistry
Chemical Engineering
Molecular Structure and Vibrational Analysis of 1-Bromo-2-Chlorobenzene Using Ab Initio HF and Density Functional Theory (B3LYP) Calculations
Journal of Atomic, Molecular, and Optical Physics
The Stretching Vibrational Overtone Spectra of PH3: Local Mode Vibrational Analysis, Dipole Moment Surfaces From Density Functional Theory and Band Intensities
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
Functional Group Effects on the HOMO–LUMO Gap of G-C3n4
Nanomaterials
Materials Science
Chemical Engineering
Vibrational Spectra and Molecular Structure of Ethyl Methyl Sulfide
Bulletin of the Chemical Society of Japan
Chemistry
Dehydrogenation Free Energy of Co2+(aq) From Density Functional Theory-Based Molecular Dynamics
Journal of Chemical Theory and Computation
Theoretical Chemistry
Computer Science Applications
Physical
Density Functional Theory for Steady-State Nonequilibrium Molecular Junctions
Scientific Reports
Multidisciplinary
Molecular Modelling Analysis of the Metabolism of Modafinil
Journal of Pharmacology and Toxicology
Toxicology
Pharmaceutics
Pharmacology
