| Hydrogen bond design principles LJ Karas, CH Wu, R Das, JIC Wu Wiley Interdisciplinary Reviews: Computational Molecular Science 10 (6), e1477, 2020 | 102 | 2020 |
| A Cu (II)-MOF capable of fixing CO 2 from air and showing high capacity H 2 and CO 2 adsorption V Sharma, D De, R Saha, R Das, PK Chattaraj, PK Bharadwaj Chemical Communications 53 (100), 13371-13374, 2017 | 59 | 2017 |
| Theoretical investigation of hydrogen adsorption in all-metal aromatic clusters K Srinivasu, SK Ghosh, R Das, S Giri, PK Chattaraj RSC advances 2 (7), 2914-2922, 2012 | 50 | 2012 |
| A (T–P) Phase Diagram of Hydrogen Storage on (N4C3H)6Li6 R Das, PK Chattaraj The Journal of Physical Chemistry A 116 (12), 3259-3266, 2012 | 32 | 2012 |
| Does Confinement Always Lead to Thermodynamically and/or Kinetically Favorable Reactions? A Case Study using Diels–Alder Reactions within ExBox+4 and CB … D Chakraborty, R Das, PK Chattaraj ChemPhysChem 18 (16), 2162-2170, 2017 | 24 | 2017 |
| Host–Guest Interactions in ExBox4+ R Das, PK Chattaraj ChemPhysChem 15 (18), 4108-4116, 2014 | 21 | 2014 |
| A one-pot Garratt–Braverman cyclization and Scholl oxidation route to acene–helicene hybrids T Mitra, J Das, M Maji, R Das, UK Das, PK Chattaraj, A Basak RSC advances 3 (43), 19844-19848, 2013 | 21 | 2013 |
| Hydrogen evolution in [NiFe] hydrogenases and related biomimetic systems. Similarities and differences R Das, F Neese, M van Gastel Physical Chemistry Chemical Physics, 2016 | 18 | 2016 |
| Chemical reactivity through structure‐stability landscape R Das, JL Vigneresse, PK Chattaraj International Journal of Quantum Chemistry 114 (21), 1421-1429, 2014 | 17 | 2014 |
| Redox and Lewis acid–base activities through an electronegativity-hardness landscape diagram R Das, JL Vigneresse, PK Chattaraj Journal of molecular modeling 19, 4857-4864, 2013 | 16 | 2013 |
| Gas storage potential of ExBox 4+ and its Li-decorated derivative R Das, PK Chattaraj Physical Chemistry Chemical Physics 16 (40), 21964-21979, 2014 | 15 | 2014 |
| Net reactivity index (Δω) A Chakraborty, R Das, S Giri, PK Chattaraj Journal of Physical Organic Chemistry 24 (9), 854-864, 2011 | 13 | 2011 |
| Change in optoelectronic properties of ExBox+ 4 on functionalization and guest encapsulation D Chakraborty, R Das, PK Chattaraj Physical Chemistry Chemical Physics 19 (34), 23373-23385, 2017 | 12 | 2017 |
| 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 14 (43), 14784-14802, 2012 | 11 | 2012 |
| Structure-stability diagrams and stability-reactivity landscapes: a conceptual DFT study PK Chattaraj, R Das, S Duley, JL Vigneresse Theoretical Chemistry Accounts 131, 1-8, 2012 | 10 | 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 |
| Ground state destabilization in uracil DNA glycosylase: let’s not forget “tautomeric strain” in substrates R Das, EA Vázquez-Montelongo, GA Cisneros, JI Wu Journal of the American Chemical Society 141 (35), 13739-13743, 2019 | 8 | 2019 |
| Guest–host interaction in an aza crown analog R Das, PK Chattaraj International Journal of Quantum Chemistry 114 (11), 708-719, 2014 | 7 | 2014 |
| Self-assembling purine and pteridine quartets: how do π-conjugation patterns affect resonance-assisted hydrogen bonding? HR Paudel, R Das, CH Wu, JI Wu Organic & biomolecular chemistry 18 (6), 1078-1081, 2020 | 5 | 2020 |
| Conceptual density functional theory (DFT) approach to all-metal aromaticity and hydrogen storage R Das, A Chakraborty, S Pan, PK Chattaraj Compendium of Hydrogen Energy, 243-280, 2016 | 2 | 2016 |
Pratim Kumar ChattarajDistinguished Visiting Professor, Department of Chemistry, Birla Institute of Technology MesraVerified email at bitmesra.ac.in
