330 citations · 660 across the 4 of their papers we have counts for
4 papers
Theoretical Study of Physisorption of Nucleobases on Boron Nitride Nanotubes: A New Class of Hybrid Nano-Bio Materials
Saikat Mukhopadhyay, S. Gowtham, Ralph H. Scheicher +2
We investigate the adsorption of the nucleic acid bases, adenine (A), guanine (G), cytosine (C), thymine (T) and uracil (U) on the outer wall of a high curvature semiconducting sin…
First-principles Study of Physisorption of Nucleic Acid Bases on Small-Diameter Carbon Nanotube
S. Gowtham, Ralph H. Scheicher, Ravindra Pandey +2
We report the results of our first-principles study based on density functional theory on the interaction of the nucleic acid base molecules adenine (A), cytosine (C), guanine (G),…
Physisorption of Nucleobases on Graphene
S. Gowtham, Ralph H. Scheicher, Rajeev Ahuja +2
We report the results of our first-principles investigation on the interaction of the nucleobases adenine (A), cytosine (C), guanine (G), thymine (T), and uracil (U) with graphene,…
Geometric, electronic properties and the thermodynamics of pure and Al--doped Li clusters
Mal--Soon Lee, S. Gowtham, Haiying He +3
The first--principles density functional molecular dynamics simulations have been carried out to investigate the geometric, the electronic, and the finite temperature properties of…