Structural Properties, Natural Bond Orbital, Theory Functional Calculations (DFT), and Energies for the α Halorganic Compounds
Abstract: In this paper, the optimized geometries and frequencies of the stationary point and the minimum-energy pathsof C3H2F4Br2are calculated by using the DFT (B3LYP) methods with LANL2DZ.....More
Assessment of Heavy Metal Pollution Associated with Surface Sediment Contamination in the Bhima River, Karnataka, India
Abstract: The quality of the sediment is negatively impacted by the concentration of potentially toxic elements (PTEs). The Bhima River, which supports a sizable population and is a signific.....More




