Tapas Ranjan Middya

A QSAR study of radical scavenging antioxidant activity of a series of flavonoids using DFT based quantum chemical descriptors – the importance of group frontier electron density

In a pursuit of electronic level understanding of the antioxidant activity of a series of flavonoids, quantitative structure-activity relationship (QSAR) studies have been carried out using density functional theory (DFT) based quantum chemical descriptors. The best QSAR model have been selected for which the computed square correlation coefficient r2 = 0.937 and cross-validated squared correlation coefficient q2 =0.916. The QSAR model indicates that hardness (η), group electrophilic frontier electron density (

An Effective Electrical Throughput from PANI Supplement ZnS Nanorods and PDMS-Based Flexible Piezoelectric Nanogenerator for Power up Portable Electronic Devices: An Alternative of MWCNT Filler.

F_A^E

Positron annihilation and ion-conductivity studies of PEO-NH4ClO4 complexes

) and group philicity (

Human skin interactive self-powered wearable piezoelectric bio-e-skin by electrospun poly-L-lactic acid nanofibers for non-invasive physiological signal monitoring

\omega_B^{ + }

Organo-Lead Halide Perovskite Induced Electroactive β-Phase in Porous PVDF Films: An Excellent Material for Photoactive Piezoelectric Energy Harvester and Photodetector

) of individual molecules are responsible for in vitro biological activity. To the best our knowledge, the group electrophilic frontier electron density (