| Net electrophilicity PK Chattaraj, A Chakraborty, S Giri The Journal of Physical Chemistry A 113 (37), 10068-10074, 2009 | 222 | 2009 |
| Aromaticity and Metal clusters PK Chattaraj CRC Press, 2010 | 53 | 2010 |
| Biological Activity and Toxicity: A Conceptual DFT Approach A Chakraborty, S Pan, PK Chattaraj Applications of Density Functional Theory to Biological and Bioinorganic …, 2013 | 52 | 2013 |
| Analyzing the efficiency of M n–(C 2 H 4)(M= Sc, Ti, Fe, Ni; n= 1, 2) complexes as effective hydrogen storage materials A Chakraborty, S Giri, PK Chattaraj Structural Chemistry 22 (4), 823-837, 2011 | 43 | 2011 |
| Potential use of some metal clusters as hydrogen storage materials—a conceptual DFT approach S Giri, A Chakraborty, PK Chattaraj Journal of molecular modeling 17 (4), 777-784, 2011 | 41 | 2011 |
| Trapping of noble gases (He–Kr) by the aromatic H3+ and Li3+ species: a conceptual DFT approach A Chakraborty, S Giri, PK Chattaraj New Journal of Chemistry 34 (9), 1936-1945, 2010 | 37 | 2010 |
| Bonding, aromaticity, and structure of trigonal dianion metal clusters S Giri, DR Roy, S Duley, A Chakraborty, R Parthasarathi, M Elango, ... Journal of computational chemistry 31 (9), 1815-1821, 2010 | 34 | 2010 |
| Toward analyzing some neutral and cationic boron–lithium clusters (BxLiy x= 2–6; y= 1, 2) as effective hydrogen storage materials: A conceptual density functional study S Bandaru, A Chakraborty, S Giri, PK Chattaraj International Journal of Quantum Chemistry 112 (3), 695-702, 2012 | 27 | 2012 |
| Role of aromaticity and charge of a system in its hydrogen trapping potential and vice versa S Giri, S Bandaru, A Chakraborty, PK Chattaraj Physical Chemistry Chemical Physics 13 (46), 20602-20614, 2011 | 27 | 2011 |
| Stability and aromaticity of nH2@B12N12 (n=1–12) clusters S Giri, A Chakraborty, PK Chattaraj Nano reviews 2 (1), 5767, 2011 | 22 | 2011 |
| Aromaticity in all-metal annular systems: the counter-ion effect A Chakraborty, S Giri, S Duley, A Anoop, P Bultinck, PK Chattaraj Physical Chemistry Chemical Physics 13 (33), 14865-14878, 2011 | 20 | 2011 |
| A conceptual density functional study of structure, bonding, reactivity and the possibility of bond-stretch isomerism in some neutral sulfur clusters, S n (n= 3–8) S Duley, A Chakraborty, S Giri, PK Chattaraj Journal of Sulfur Chemistry 31 (4), 231-246, 2010 | 15 | 2010 |
| Series Editor: DMP Mingos, Oxford, United Kingdom X Duan | 14* | 2013 |
| Net reactivity index (Δω) A Chakraborty, R Das, S Giri, PK Chattaraj Journal of Physical Organic Chemistry 24 (9), 854-864, 2011 | 13 | 2011 |
| Structure, bonding, reactivity and aromaticity of some selected Zn-clusters A Chakraborty, S Giri, PK Chattaraj Journal of Molecular Structure: THEOCHEM 913 (1), 70-79, 2009 | 12 | 2009 |
| Applications of density functional theory to biological and bioinorganic chemistry M Causa, PK Chattaraj, A Chakraborty, M D'Amore, A Goursot, C Garzillo, ... Springer 150, 119-141, 2013 | 11 | 2013 |
| Some novel molecular frameworks involving representative elements A Chakraborty, S Bandaru, R Das, S Duley, S Giri, K Goswami, S Mondal, ... Physical Chemistry Chemical Physics, 2012 | 11 | 2012 |
| Aromaticity in Polyacenes and Their Structural Analogues R Das, A Chakraborty, S Pan, PK Chattaraj Current Organic Chemistry 17 (23), 2831-2844, 2013 | 9 | 2013 |
| An Understanding of the Origin of Chemical Reactivity from a Conceptual DFT approach A Chakraborty, S Duley, S Giri, PK Chattaraj A Matter of Density: Exploring the Electron Density Concept in the Chemical …, 2012 | 7 | 2012 |
| Toxicity of Halogen, Sulfur and Chlorinated Aromatic Compounds: A Quantitative-Structure-Toxicity-Relationship (QSTR) AK Gupta, A Chakraborty, S Giri, V Subramanian, P Chattaraj International Journal of Chemoinformatics and Chemical Engineering (IJCCE) 1 …, 2011 | 7 | 2011 |
Pratim Kumar ChattarajDistinguished Visiting Professor, Department of Chemistry, Birla Institute of Technology MesraVerified email at bitmesra.ac.in
