Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
7680843 | Talanta | 2014 | 10 Pages |
Abstract
Energy of the HOMO and LUMO orbitals and Mülliken's atomic charges along with electrostatic potential surface of template molecule were also calculated using density functional theory utilizing B3LYP with 3-21G-basis set to find out the prone site for electro-chemical oxidation of metformin.
Related Topics
Physical Sciences and Engineering
Chemistry
Analytical Chemistry
Authors
Ekta Roy, Santanu Patra, Rashmi Madhuri, Prashant K. Sharma,