K. R. S. Chandrakumar

Alkali-Metal-Induced Enhancement of Hydrogen Adsorption in C₆₀ Fullerene:  An <i>ab Initio</i> Study

K. R. S. Chandrakumar, Swapan K. Ghosh · Nano Letters · 2007 · 372 citations

Materials Science, Engineering, C60 Molecule +15

Critical Study of Local Reactivity Descriptors for Weak Interactions:  Qualitative and Quantitative Analysis of Adsorption of Molecules in the Zeolite Lattice

Sourav Pal, K. R. S. Chandrakumar · Journal of the American Chemical Society · 2000 · 122 citations

Engineering, Computational Chemistry, Chemistry +17

Relationship between Ionization Potential, Polarizability, and Softness:  A Case Study of Lithium and Sodium Metal Clusters

K. R. S. Chandrakumar, Tapan K. Ghanty, Swapan K. Ghosh · The Journal of Physical Chemistry A · 2004 · 102 citations

Engineering, Sodium Metal Clusters, Computational Chemistry +19

The Concept of Density Functional Theory Based Descriptors and its Relation with the Reactivity of Molecular Systems: A Semi-Quantitative Study

K. R. S. Chandrakumar, Sourav Pal · International Journal of Molecular Sciences · 2002 · 86 citations · Full text

Engineering, Computational Chemistry, Chemistry +18

SWNT Nucleation from Carbon-Coated SiO₂ Nanoparticles via a Vapor−Solid−Solid Mechanism

Alister J. Page, K. R. S. Chandrakumar, Stephan Irle et al. · Journal of the American Chemical Society · 2010 · 67 citations