Current affiliation: University of South CarolinaSubject: ChemistryPrimary location: United States
Published in:Physical Chemistry Chemical PhysicsPublication date:2012-01-01
Published in:Physical Chemistry Chemical PhysicsPublication date:2014-01-01
How halogen bonding can be used to come up with new base pairs...
DFT calculations to explain the bonding nature of the active site of [NiFe] hydorgenase!
Published in:Journal of Photochemistry and Photobiology A ChemistryPublication date:2013-11-01
How different anchoring groups alter the optoelectronic properties of pyrene sensitizers? - Answers from experiments and theoretical studies.
Published in:Journal of Photochemistry and Photobiology A ChemistryPublication date:2012-11-01
Synthesis and characterization of conjugated perylene diimide-based copolymer for the organic photovoltics. DFT calculations show the nature of mol...
Published in:Journal of Photochemistry and Photobiology A ChemistryPublication date:2013-06-01
Synthesis and characterization of Conjugated polymer based on oligobenzo[c]thiophene towards solar cell applications. DFT studies give more informa...
Published in:RSC AdvancesPublication date:2011-01-01
How differnt anions bind to three different host molecules - Answers from DFT study. The weak interactions which held together the anions on cavit...
Published in:Annalen der PharmaciePublication date:2013-12-03
A Study on 2-Quinolinone-Based Donor-Acceptor Molecules
A comprehensive experimental and DFT studies to understand the photophysical properties of 2-Quinolinone derivatives.
Published in:The Journal of Physical Chemistry APublication date:2013-04-25
DFT studies to explore the nature of bonding present in dihalogenated perhalocyclohexasilanes. The driving forces behind on the occurance of diffe...
Published in:Journal of Chemical SciencesPublication date:2012-01-01
Reaction mechanism of epoxide ring cleavages from DFT calculations.
Published in:Dyes and PigmentsPublication date:2014-01-01
How Acceptor Groups change the UV-visible spectra of Bithiophene Azo based molecules. DFT/TDDFT calculations explains the electronic structure of t...
Published in:Journal of FluorescencePublication date:2011-03-30
How Hypocrellin B intercts with DNA - Answers from Experiment and Theory
Published in:Journal of LuminescencePublication date:2013-11-01
How toxic azo dye C.I. Acid 88 interacts with BSA and HSA proteins using different spectroscopic technics along with molecular docking studies.
Published in:The Journal of Physical Chemistry APublication date:2012-05-10
How DFT calculations help to understand the electronic structure of triazene chromophores. This will give an idea on the push-pull nature of these ...
Published in:RSC AdvancesPublication date:2015-01-01
How different donor and acceptor units tune the Thiophene derivatives for optoelectronic properties.
Published in:Journal of Biomolecular Structure and DynamicsPublication date:2014-05-23
Surfactant metal complex behaves different from metal complex when it comes for biological activity. Here we studied how surfactant–copper(II) Sch...