Update 1 of: electrophilicity index PK Chattaraj, DR Roy Chemical reviews 107 (9), PR46-PR74, 2007 | 1764 | 2007 |
Principle of maximum hardness RG Parr, PK Chattaraj Journal of the American Chemical Society 113 (5), 1854-1855, 1991 | 1434 | 1991 |
Philicity: a unified treatment of chemical reactivity and selectivity PK Chattaraj, B Maiti, U Sarkar The Journal of Physical Chemistry A 107 (25), 4973-4975, 2003 | 810 | 2003 |
HSAB principle PK Chattaraj, H Lee, RG Parr Journal of the American Chemical Society 113 (5), 1855-1856, 1991 | 631 | 1991 |
Chemical reactivity theory: a density functional view PK Chattaraj CRC press, 2009 | 448 | 2009 |
Electrophilicity-based charge transfer descriptor J Padmanabhan, R Parthasarathi, V Subramanian, PK Chattaraj The Journal of Physical Chemistry A 111 (7), 1358-1361, 2007 | 423 | 2007 |
Popular electronic structure principles in a dynamical context PK Chattaraj, S Sengupta The Journal of Physical Chemistry 100 (40), 16126-16130, 1996 | 395 | 1996 |
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 | 363 | 2004 |
Variation of the electrophilicity index along the reaction path E Chamorro, PK Chattaraj, P Fuentealba The Journal of Physical Chemistry A 107 (36), 7068-7072, 2003 | 298 | 2003 |
Stability, reactivity, and aromaticity of compounds of a multivalent superatom PK Chattaraj, S Giri The Journal of Physical Chemistry A 111 (43), 11116-11121, 2007 | 269 | 2007 |
<? ACS-CT-START-Insert?> Update 2 of:<? ACS-CT-END-Insert?> Electrophilicity Index PK Chattaraj, ... Chemical reviews 111 (2), PR43-PR75, 2011 | 257 | 2011 |
Chemical reactivity and selectivity: local HSAB principle versus frontier orbital theory PK Chattaraj The Journal of Physical Chemistry A 105 (2), 511-513, 2001 | 253 | 2001 |
Intermolecular reactivity through the generalized philicity concept R Parthasarathi, J Padmanabhan, M Elango, V Subramanian, ... Chemical physics letters 394 (4-6), 225-230, 2004 | 236 | 2004 |
Toxicity analysis of benzidine through chemical reactivity and selectivity profiles: a DFT approach R Parthasarathi, J Padmanabhan, U Sarkar, B Maiti, V Subramanian, ... Internet Electronic Journal of Molecular Design 2 (12), 798-813, 2003 | 226 | 2003 |
The maximum hardness principle in the Gyftopoulos-Hatsopoulos three-level model for an atomic or molecular species and its positive and negative ions PK Chattaraj, GH Liu, RG Parr Chemical Physics Letters 237 (1-2), 171-176, 1995 | 222 | 1995 |
Electrophilicity index within a conceptual DFT framework PK Chattaraj, S Giri Annual Reports Section" C"(Physical Chemistry) 105, 13-39, 2009 | 212 | 2009 |
HSAB principle applied to the time evolution of chemical reactions PK Chattaraj, B Maiti Journal of the American Chemical Society 125 (9), 2705-2710, 2003 | 211 | 2003 |
Conceptual density functional theory: status, prospects, issues P Geerlings, E Chamorro, PK Chattaraj, F De Proft, JL Gázquez, S Liu, ... Theoretical Chemistry Accounts 139 (2), 36, 2020 | 205 | 2020 |
Variational method for determining the Fukui function and chemical hardness of an electronic system PK Chattaraj, A Cedillo, RG Parr The Journal of chemical physics 103 (17), 7645-7646, 1995 | 191 | 1995 |
An ab initio study resulting in a greater understanding of the HSAB principle PK Chattaraj, PR Schleyer Journal of the American chemical society 116 (3), 1067-1071, 1994 | 188 | 1994 |