First report on tuning triazene chromophores using DFT/TDDFT methods
What is it about?
How DFT calculations help to understand the electronic structure of triazene chromophores. This will give an idea on the push-pull nature of these molecules.
Why is it important?
Important DFT based Frontier Molecular Orbitals, NLO, NBO methods profitably used to study the electronic structures of Organic molecules.
The following have contributed to this page: VIJAY SOLOMON RAJADURAI