Structural Electrical and transport properties of long conjugated chain organic molecules
Completed
Agency: University Grants CommissionRole: Other
Prediction of some novel stable polymorphic drugs via Ab initio Quantum Chemical Calculations
UniversityKandaswami Kandars College, Velur
Year2022
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Electrical Conductivity Analysis of Gold-Sulphur Substituted Organic Molecules via high level Ab-initio Quantum Chemical Calculations and Quantum Theory of Atoms in Molecules
UniversityKandaswami Kandars College
Year2023
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Charge Transfer Properties and Substituent Effects in organic molecules: A DFT Study
UniversityKandaswami Kandars College
Year2024
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INVESTIGATION OF STRUCTURAL AND ELECTRICAL CHARACTERISTICS OF SOME NOVEL ORGANIC CONDUCTING MOLECULES VIA QUANTUM CHEMICAL CALCULATIONS AND AIM ANALYSIS
UniversityKandaswami Kandars College
Year2024
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Scholarly Publications
Probing the effect of applied electric field in charge density distribution and electrostatic properties of au substituted saturated polycyclic hydrocarbon molecular nanowires via quantum chemical and charge density study
Exploring the charge density distribution and the electrical characteristics of Oligo phenylene ethylene molecular nanowire using quantum chemical and charge density analysis
Understanding the charge density distribution and the electrostatic properties of hexadecane molecular nanowire under electric field using DFT and AIM theory