Update 1 of: electrophilicity index PK Chattaraj, DR Roy Chemical reviews 107 (9), PR46-PR74, 2007 | 2215* | 2007 |
Electrophilicity index as a possible descriptor of biological activity R Parthasarathi, V Subramanian, DR Roy, PK Chattaraj Bioorganic & medicinal chemistry 12 (21), 5533-5543, 2004 | 417 | 2004 |
Electrophilicity as a possible descriptor for toxicity prediction DR Roy, R Parthasarathi, B Maiti, V Subramanian, PK Chattaraj Bioorganic & medicinal chemistry 13 (10), 3405-3412, 2005 | 219 | 2005 |
Multiphilic descriptor for chemical reactivity and selectivity J Padmanabhan, R Parthasarathi, M Elango, V Subramanian, ... The Journal of Physical Chemistry A 111 (37), 9130-9138, 2007 | 180 | 2007 |
Analyzing toxicity through electrophilicity DR Roy, U Sarkar, PK Chattaraj, A Mitra, J Padmanabhan, ... Molecular diversity 10, 119-131, 2006 | 143 | 2006 |
Electronic and optical properties of BaTiO3 across tetragonal to cubic phase transition: An experimental and theoretical investigation V Mishra, A Sagdeo, V Kumar, MK Warshi, HM Rai, SK Saxena, DR Roy, ... Journal of Applied Physics 122 (6), 2017 | 126 | 2017 |
Stability and reactivity of all-metal aromatic and antiaromatic systems in light of the principles of maximum hardness and minimum polarizability PK Chattaraj, DR Roy, M Elango, V Subramanian The Journal of Physical Chemistry A 109 (42), 9590-9597, 2005 | 119 | 2005 |
Local hardness: a critical account PK Chattaraj, DR Roy, P Geerlings, M Torrent-Sucarrat Theoretical Chemistry Accounts 118, 923-930, 2007 | 113 | 2007 |
Careful scrutiny of the philicity concept DR Roy, R Parthasarathi, J Padmanabhan, U Sarkar, V Subramanian, ... The Journal of Physical Chemistry A 110 (3), 1084-1093, 2006 | 102 | 2006 |
Electronic structure principles and aromaticity PK Chattaraj, U Sarkar, DR Roy Journal of chemical education 84 (2), 354, 2007 | 94 | 2007 |
On the Ground State of Pd13 AM Köster, P Calaminici, E Orgaz, DR Roy, JU Reveles, SN Khanna Journal of the American Chemical Society 133 (31), 12192-12196, 2011 | 78 | 2011 |
Aromaticity in polyacene analogues of inorganic ring compounds PK Chattaraj, DR Roy The Journal of Physical Chemistry A 111 (21), 4684-4696, 2007 | 73 | 2007 |
Reactivity, Selectivity, and Aromaticity of Be32- and Its Complexes DR Roy, PK Chattaraj The Journal of Physical Chemistry A 112 (7), 1612-1621, 2008 | 72 | 2008 |
Chemical reactivity descriptor based aromaticity indices applied to Al42− and Al44− systems PK Chattaraj, DR Roy, M Elango, V Subramanian Journal of Molecular Structure: THEOCHEM 759 (1-3), 109-110, 2006 | 55 | 2006 |
A conceptual DFT approach towards analysing toxicity U Sarkar, DR Roy, PK Chattaraj, R Parthasarathi, J Padmanabhan, ... Journal of Chemical Sciences 117, 599-612, 2005 | 53 | 2005 |
Ca2C MXene monolayer as a superior anode for metal-ion batteries K Rajput, V Kumar, S Thomas, MA Zaeem, DR Roy 2D Materials 8 (3), 035015, 2021 | 49 | 2021 |
Two-Dimensional Boron–Phosphorus Monolayer for Reversible NO2 Gas Sensing S Thomas, V Kumar, DR Roy, MA Zaeem ACS Applied Nano Materials 3 (10), 10073-10081, 2020 | 48 | 2020 |
Single-layer stanane as potential gas sensor for NO2, SO2, CO2 and NH3 under DFT investigation V Kumar, DR Roy Physica E: Low-dimensional Systems and Nanostructures 110, 100-106, 2019 | 48 | 2019 |
Magnetic moment and local moment alignment in anionic and/or oxidized Fen clusters DR Roy, R Robles, SN Khanna The Journal of chemical physics 132 (19), 2010 | 48 | 2010 |
Minimum magnetizability principle A Tanwar, S Pal, D Ranjan Roy, P Kumar Chattaraj The Journal of chemical physics 125 (5), 2006 | 46 | 2006 |