Items where Author is "Chandrakumar, K. R. S."

Article

Chandrakumar, K. R. S. ; Ghosh, Swapan K. (2008) Alkali-metal-induced enhancement of hydrogen adsorption in C₆₀ fullerene: an ab initio study Nano Letters, 8 (1). pp. 13-19. ISSN 1530-6984

Chandrakumar, K. R. S. ; Ghosh, Swapan K. (2007) Electrostatics driven interaction of dihydrogen with S-block metal cations: theoretical prediction of stable MH₁₆ complex Chemical Physics Letters, 447 (4-6). pp. 208-214. ISSN 0009-2614

Chandrakumar, K. R. S. ; Ghanty, Tapan K. ; Ghosh, Swapan K. ; Mukherjee, Tulsi (2007) Hydration of uranyl cations: effective fragment potential approach Journal of Molecular Structure: Theochem, 807 (1-3). pp. 93-99. ISSN 0166-1280

Kar, Rahul ; Chandrakumar, K. R. S. ; Pal, Sourav (2007) The influence of electric field on the global and local reactivity descriptors: reactivity and stability of weakly bonded complexes Journal of Physical Chemistry A, 111 (2). pp. 375-383. ISSN 1089-5639

Chandrakumar, K. R. S. ; Ghanty, Tapan K. ; Ghosh, Swapan K. (2004) Relationship between ionization potential, polarizability, and softness: a case study of lithium and sodium metal clusters Journal of Physical Chemistry A, 108 (32). pp. 6661-6666. ISSN 1089-5639

Chandrakumar, K. R. S. ; Pal, Sourav (2003) Study of local hard-soft acid-base principle: effects of basis set, electron correlation, and the electron partitioning method Journal of Physical Chemistry A, 107 (30). pp. 5755-5762. ISSN 1089-5639

Chandrakumar, K. R. S. ; Pal, Sourav (2002) A systematic study on the reactivity of Lewis acid-base complexes through the local hard-soft acid-base principle Journal of Physical Chemistry A, 106 (48). pp. 11775-11781. ISSN 1089-5639

Chandrakumar, K. R. S. ; Pal, Sourav (2002) Study of local hard-soft acid-base principle to multiple-site interactions Journal of Physical Chemistry A, 106 (23). pp. 5737-5744. ISSN 1089-5639

Chandrakumar, K. R. S. ; Pal, Sourav (2002) DFT and local reactivity descriptor studies on the nitrogen sorption selectivity from air by sodium and calcium exchanged zeolite-A Colloids and Surfaces A: Physicochemical and Engineering Aspects, 205 (1-2). pp. 127-138. ISSN 0927-7757

Sudrik, Surendra G. ; Chavan, Sambhaji P. ; Chandrakumar, K. R. S. ; Pal, Sourav ; Date, Sadgopal K. ; Chavan, Subhash P. ; Sonawane, Harikisan R. (2002) Microwave specific Wolff rearrangement of α-diazoketones and its relevance to the nonthermal and thermal effect Journal of Organic Chemistry, 67 (5). pp. 1574-1579. ISSN 0022-3263

Chandrakumar, K. R. S. ; Pal, Sourav (2001) A novel theoretical model for molecular recognition of multiple-site interacting systems using density response functions Journal of Physical Chemistry B, 105 (20). pp. 4541-4544. ISSN 1089-5647

Pal, Sourav ; Chandrakumar, K. R. S. (2000) Critical study of local reactivity descriptors for weak interactions: qualitative and quantitative analysis of adsorption of molecules in the zeolite lattice Journal of the American Chemical Society, 122 (17). pp. 4145-4153. ISSN 0002-7863