Alkali-metal-induced enhancement of hydrogen adsorption in C60 fullerene: an ab initio study KRS Chandrakumar, SK Ghosh
Nano letters 8 (1), 13-19, 2008
404 2008 Critical study of local reactivity descriptors for weak interactions: Qualitative and quantitative analysis of adsorption of molecules in the zeolite lattice S Pal, KRS Chandrakumar
Journal of the American Chemical Society 122 (17), 4145-4153, 2000
143 2000 Relationship between ionization potential, polarizability, and softness: a case study of lithium and sodium metal clusters KRS Chandrakumar, TK Ghanty, SK Ghosh
The Journal of Physical Chemistry A 108 (32), 6661-6666, 2004
112 2004 The concept of density functional theory based descriptors and its relation with the reactivity of molecular systems: A semi-quantitative study KRS Chandrakumar, S Pal
International Journal of Molecular Sciences 3 (4), 324-337, 2002
99 2002 Microwave specific Wolff rearrangement of α-diazoketones and its relevance to the nonthermal and thermal effect SG Sudrik, SP Chavan, KRS Chandrakumar, S Pal, SK Date, SP Chavan, ...
The Journal of Organic Chemistry 67 (5), 1574-1579, 2002
77 2002 Static dipole polarizability and binding energy of sodium clusters A critical assessment of all-electron based post Hartree–Fock and density functional … KRS Chandrakumar, TK Ghanty, SK Ghosh
The Journal of chemical physics 120 (14), 6487-6494, 2004
71 2004 SWNT Nucleation from Carbon-Coated SiO2 Nanoparticles via a Vapor−Solid−Solid Mechanism AJ Page, KRS Chandrakumar, S Irle, K Morokuma
Journal of the American Chemical Society 133 (3), 621-628, 2011
70 2011 Study of Local Hard− Soft Acid− Base Principle to Multiple-Site Interactions KRS Chandrakumar, S Pal
The Journal of Physical Chemistry A 106 (23), 5737-5744, 2002
67 2002 Nanoscale curvature-induced hydrogen adsorption in alkali metal doped carbon nanomaterials KRS Chandrakumar, K Srinivasu, SK Ghosh
The Journal of Physical Chemistry C 112 (40), 15670-15679, 2008
62 2008 Boron precursor-dependent evolution of differently emitting carbon dots J Jana, M Ganguly, KRS Chandrakumar, G Mohan Rao, T Pal
Langmuir 33 (2), 573-584, 2017
57 2017 Quantum chemical studies on hydrogen adsorption in carbon-based model systems: role of charged surface and the electronic induction effect K Srinivasu, KRS Chandrakumar, SK Ghosh
Physical Chemistry Chemical Physics 10 (38), 5832-5839, 2008
57 2008 A systematic study on the reactivity of Lewis acid− base complexes through the local hard− soft acid− base principle KRS Chandrakumar, S Pal
The Journal of Physical Chemistry A 106 (48), 11775-11781, 2002
54 2002 The influence of electric field on the global and local reactivity descriptors: reactivity and stability of weakly bonded complexes R Kar, KRS Chandrakumar, S Pal
The Journal of Physical Chemistry A 111 (2), 375-383, 2007
52 2007 Beyond the Gold–Hydrogen Analogy: Doping Gold Cluster with H-atom–O2 Activation and Reduction of the Reaction Barrier for CO Oxidation NK Jena, KRS Chandrakumar, SK Ghosh
The Journal of Physical Chemistry Letters 2 (12), 1476-1480, 2011
47 2011 Computational Investigation of Hydrogen Adsorption by Alkali‐Metal‐Doped Organic Molecules: Role of Aromaticity K Srinivasu, KRS Chandrakumar, SK Ghosh
ChemPhysChem 10 (2), 427-435, 2009
47 2009 Electrostatics driven interaction of dihydrogen with s-block metal cations: theoretical prediction of stable MH16 complex KRS Chandrakumar, SK Ghosh
Chemical Physics Letters 447 (4-6), 208-214, 2007
41 2007 Theoretical investigation on the structure and electronic properties of hydrogen-and alkali-metal-doped gold clusters and their interaction with CO: enhanced reactivity of … NK Jena, KRS Chandrakumar, SK Ghosh
The Journal of Physical Chemistry C 113 (41), 17885-17892, 2009
40 2009 Enhanced catalytic activity of Ag/Rh bimetallic nanomaterial: evidence of an ensemble effect A Roy, B Debnath, R Sahoo, KRS Chandrakumar, C Ray, J Jana, T Pal
The Journal of Physical Chemistry C 120 (10), 5457-5467, 2016
39 2016 Thermally activated delayed fluorescence (green) in undoped film and exciplex emission (blue) in acridone–carbazole derivatives for OLEDs QT Siddiqui, AA Awasthi, P Bhui, M Muneer, KRS Chandrakumar, S Bose, ...
The Journal of Physical Chemistry C 123 (2), 1003-1014, 2018
37 2018 Ab initio studies on the polarizability of lithium clusters: Some unusual results KRS Chandrakumar, TK Ghanty, SK Ghosh
International journal of quantum chemistry 105 (2), 166-173, 2005
29 2005