J. Laxmikanth Rao

Enhanced Nonlinear Optical Response in Zwitterionic Molecules:  A Computational Study on the Role of Orbital Interactions through σ Bonds

Sanyasi Sitha, J. Laxmikanth Rao, K. Bhanuprakash et al. · The Journal of Physical Chemistry A · 2001 · 50 citations

Natural Sciences, Chemistry, Physics +17

Role of Intermolecular Hydrogen Bonding in Some Supramolecules: An AM1 Study of the Binding Energies and Hyperpolarizabilities

J.A.R.P. Sarma, J. Laxmikanth Rao, K. Bhanuprakash · Chemistry of Materials · 1995 · 28 citations

Natural Sciences, Chemistry, Physics +17

Theoretical studies on the non-linear optical properties of some organic molecules: effect of π–σ–π through-bond coupling on the first hyperpolarisability

J. Laxmikanth Rao, K. Bhanuprakash · Journal of Molecular Structure THEOCHEM · 1999 · 23 citations

Natural Sciences, Chemistry, Physics +14

Density-functional study of Au–Cu binary clusters of small size (n= 6): Effect of structure on electronic properties

J. Laxmikanth Rao, S. Basavaraja, K. Bhanuprakash et al. · Journal of Molecular Structure THEOCHEM · 2006 · 21 citations

Natural Sciences, Chemistry, Physics +17

Synthesis and photovoltaic properties of D–A–D type small molecules containing diketopyrrolopyrrole (DPP) acceptor central unit with different donor terminal units

Malapaka Chandrasekharam, Ganesh D. Sharma, Surya Prakash Singh et al. · Organic Electronics · 2014 · 20 citations

Natural Sciences, Chemistry, Materials Science +16