Nagasuneetha Darla

Theoretical assessment of the influences of aromatic bridges on molecular second order nonlinear optical responses of Donor-Bridge-Acceptor types of molecular organic chromophores

Divya Pant, Nagasuneetha Darla, Sanyasi Sitha · Computational and Theoretical Chemistry · 2021 · 31 citations

Natural Sciences, Chemistry, Physics +17

Roles of various bridges on intramolecular charge Transfers, dipole moments and first hyperpolarizabilities of Donor-Bridge-Acceptor types of organic Chromophores: Theoretical assessment using Two-State model

Divya Pant, Nagasuneetha Darla, Sanyasi Sitha · Computational and Theoretical Chemistry · 2021 · 24 citations

Natural Sciences, Chemistry, Materials Science +17

Reaction between NH₃ (X¹A₁) and CO (X¹Σ⁺): A Computational Insight into the Reaction Mechanism of Formamide (H₂N–CHO) Formation

Nagasuneetha Darla, Sanyasi Sitha · The Journal of Physical Chemistry A · 2019 · 17 citations

Natural Sciences, Astronomy, Chemistry +17

Formation of Formamide from HCN + H₂O: A Computational Study on the Roles of a Second H₂O as a Catalyst, as a Spectator, and as a Reactant

Nagasuneetha Darla, Divya Sharma, Sanyasi Sitha · The Journal of Physical Chemistry A · 2019 · 16 citations

Natural Sciences, Astronomy, Chemistry +13