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Publications (35)
- Halogenation of the Side Chains in Donor-Acceptor Based Small Molecules for Photovoltaic Applications: Energetics and Charge-Transfer Properties from DFT/TDDFT Studies Save
- Insights into the Excited-State Processes in 1-Hydroxy-2-acetonaphthone at ADC(2) and CASSCF Levels Save
- Assessing the Performance of DFT Functionals for Excited-State Properties of Pyridine-Thiophene Oligomers Save
- Effects of π-bridge units on the properties of donor-π-acceptor type benzodithiophene-thienothiophene based polymers for organic solar cells Save
- Effect of fluorination of the donor unit on the properties of benzodithiophene-triazole based donor-acceptor systems for polymer solar cells: A computational investigation Save
- Alternating phenylene and furan/pyrrole/thiophene units-based oligomers: A computational study of the structures and optoelectronic properties Save
- Hybrid Formulation of Cu Nanoparticles and Labdane Diterpene from Alpinia Nigra: a Vibrational Spectroscopic Study Save
- Scattering study of the Ne + NeH+(v <inf>0</inf> = 0, j <inf>0</inf> = 0) → NeH+ + Ne reaction on an ab initio based analytical potential energy surface Save
- State-to-State Dynamics of the Ne + HeH+ (v = 0, j = 0) → NeH+(v', j') + He Reaction Save
- Helical and Nonhelical Structures of Vinylene- and Azomethine-Linked Heterocyclic Oligomers: A Computational Study of Conformation-Dependent Optoelectronic Properties Save