Browsing by Subject DFT study
Showing results 1 to 7 of 7
| Issue Date | Title | Guide | Type | Author(s) |
| 2018 | Nitrato, Pseudohalo‐Linked Zn(II)/Cd(II) Schiff‐Base Complexes with 1,3‐Diimine Spacer Group: Syntheses, Crystal Structures, DFT, TD‐DFT and Fluorescence Studies | - | Article | Das, Dhiraj |
| 2018 | Phenoxazinone synthase and antimicrobial activity by a bis(1,3-diamino-2-propanolate) cobalt(III) complex | - | Article | Choudhury, A.R. |
| 2020 | Schiff base triggering synthesis of copper(II) complex and its catalytic fate towards mimics of phenoxazinone synthase activity | - | Article | Joshi, Mayank; Choudhury, A.R. |
| 2018 | Structural and luminescent properties of a new 1D Cadmium(II) coordination polymer: A combined effort with experiment & theory | - | Article | Joshi, Mayank; Choudhury, A.R. |
| 2019 | Structural organization and molecular self-assembly of a new class of polar and non-polar four-ring based bent-core molecules | - | Article | Kaur, Supreet; Mohiuddin, G.; Punjani, V.; Pal, S.K. |
| 2020 | Synthesis and structural characterization of a linkage isomer to a mononuclear Nickel(II) complex: Experimental and computational depiction of phosphoesterase efficiency☆ | - | Article | Joshi, Mayank; Choudhury, A.R. |
| 2020 | Transesterification activity by a zinc(II)-Schiff base complex with theoretical interpretation | - | Article | Joshi, Mayank; Choudhury, A.R. |
