| 1 |
Reactivity Parameters and Substitution Effect in Organic Acids
Chakkamalayath J, Chandrakumar KRS, Ghosh SK
Journal of Physical Chemistry A, 124(19), 3770, 2020 |
| 2 |
First-principles identification of the origin for higher activity of surface doped carbon nanohorn: Impact on hydrogen storage
Banerjee P, Thapa R, Rajkamal A, Chandrakumar KRS, Das GP
International Journal of Hydrogen Energy, 44(41), 23196, 2019 |
| 3 |
Boron Precursor-Dependent Evolution of Differently Emitting Carbon Dots
Jana J, Ganguly M, Chandrakumar KRS, Rao GM, Pal T
Langmuir, 33(2), 573, 2017 |
| 4 |
Do SiO2 and carbon-doped SiO2 nanoparticles melt? Insights from QM/MD simulations and ramifications regarding carbon nanotube growth
Page AJ, Chandrakumar KRS, Irle S, Morokuma K
Chemical Physics Letters, 508(4-6), 235, 2011 |
| 5 |
SWNT Nucleation from Carbon-Coated SiO2 Nanoparticles via a Vapor-Solid-Solid Mechanism
Page AJ, Chandrakumar KRS, Irle S, Morokuma K
Journal of the American Chemical Society, 133(3), 621, 2011 |
| 6 |
Ab Initio Studies on the Electronic Structure and Properties of Aluminum Hydrides that Are Analogues of Boron Hydrides
Srinivasu K, Chandrakumar KRS, Ghosh SK
Journal of Physical Chemistry A, 114(46), 12244, 2010 |
| 7 |
Electrostatics driven interaction of dihydrogen with s-block metal cations: Theoretical prediction of stable MH16 complex
Chandrakumar KRS, Ghosh SK
Chemical Physics Letters, 447(4-6), 208, 2007 |
| 8 |
The influence of electric field on the global and local reactivity descriptors: Reactivity and stability of weakly bonded complexes
Kar R, Chandrakumar KRS, Pal S
Journal of Physical Chemistry A, 111(2), 375, 2007 |
| 9 |
Static dipole polarizability and binding energy of sodium clusters Na-n (n=1-10): A critical assessment of all-electron based post Hartree-Fock and density functional methods
Chandrakumar KRS, Ghanty TK, Ghosh SK
Journal of Chemical Physics, 120(14), 6487, 2004 |
| 10 |
Magic clusters MAu4 (M Ti and Zr) and their dimers: How magic are they?
Ghanty TK, Chandrakumar KRS, Ghosh SK
Journal of Chemical Physics, 120(24), 11363, 2004 |
