Items where Author is "Roy, D. R."

Article

Chattaraj, P. K. ; Sarkar, U. ; Roy, D. R. (2009) Electronic structure principles and aromaticity Journal of Chemical Education, 84 (2). p. 354. ISSN 0021-9584

Roy, D. R. ; Bultinck, P. ; Subramanian, V. ; Chattaraj, P. K. (2008) Bonding, reactivity and aromaticity in the light of the multicenter indices Journal of Molecular Structure (Theochem), 854 (1-3). pp. 35-39. ISSN 0166-1280

Roy, D. R. ; Pal, N. ; Mitra, A. ; Bultinck, P. ; Parthasarathi, R. ; Subramanian, V. ; Chattaraj, P. K. (2007) An atom counting strategy towards analyzing the biological activity of sex hormones European Journal of Medicinal Chemistry, 42 (11-12). pp. 1365-1369. ISSN 0223-5234

Chattaraj, P. K. ; Roy, D. R. ; Giri, S. (2007) Electronic structure principles in static and dynamic situations Computing Letters, 3 (2-4). pp. 223-230. ISSN 1574-0404

Chattaraj, P. K. ; Roy, D. R. ; Giri, S. ; Mukherjee, S. ; Subramanian, V. ; Parthasarathi, R. ; Bultinck, P. ; Van Damme, S. (2007) An atom counting and electrophilicity based QSTR approach Journal of Chemical Sciences, 119 (5). pp. 475-488. ISSN 0253-4134

Chattaraj, P. K. ; Arun Murthy, T. V. S. ; Giri, S. ; Roy, D. R. (2007) A connection between softness and magnetizability Journal of Molecular Structure (Theochem), 813 (1-3). pp. 63-65. ISSN 0166-1280

Gupta, K. ; Roy, D. R. ; Subramanian, V. ; Chattaraj, P. K. (2007) Are strong Bronsted acids necessarily strong Lewis acids? Journal of Molecular Structure, 812 (1-3). pp. 13-24. ISSN 0166-1280

Padmanabhan, J. ; Parthasarathi, R. ; Elango, M. ; Subramanian, V. ; Krishnamoorthy, B. S. ; Gutierrez-Oliva, S. ; Toro-Labbe, A. ; Roy, D. R. ; Chattaraj, P. K. (2007) A multiphilic descriptor for chemical reactivity and selectivity Journal of Physical Chemistry A, 111 (37). pp. 9130-9138. ISSN 1089-5639

Roy, D. R. ; Subramanian, V. ; Chattaraj, P. K. (2006) Nucleophilicity/electrophilicity excess in analyzing molecular electronics Indian Journal of Chemistry - Section A, 45 . pp. 2369-2380. ISSN 0376-4710

Chattaraj, P. K. ; Roy, D. R. ; Elango, M. ; Subramanian, V. (2006) Chemical reactivity descriptor based aromaticity indices applied to Al₄²⁻ and Al₄⁴⁻ systems Journal of Molecular Structure (Theochem), 759 (1-3). pp. 109-110. ISSN 0166-1280

Roy, D. R. ; Parthasarathi, R. ; Subramanian, V. ; Chattaraj, P. K. (2006) An electrophilicity based analysis of toxicity of aromatic compounds towards tetrahymena pyriformis QSAR & Combinatorial Science, 25 (2). pp. 114-122. ISSN 0931-8771

Roy, D. R. ; Sarkar, U. ; Chattaraj, P. K. ; Mitra, A. ; Padmanabhan, J. ; Parthasarathi, R. ; Subramanian, V. ; Van Damme, S. ; Bultinck, P. (2006) Analyzing toxicity through electrophilicity Molecular Diversity, 10 (2). pp. 119-131. ISSN 1381-1991

Parthasarathi, R. ; Elango, M. ; Padmanabhan, J. ; Subramanian, V. ; Roy, D. R. ; Sarkar, U. ; Chattaraj, P. K. (2006) Application of quantum chemical descriptors in computational medicinal chemistry and chemoinformatics Indian Journal of Chemistry - Section A: Inorganic, Physical, Theoretical and Analytical Chemistry, 45 (1). pp. 111-125. ISSN 0376-4710

Roy, D. R. ; Parthasarathi, R. ; Padmanabhan, J. ; Sarkar, U. ; Subramanian, V. ; Chattaraj, P. K. (2006) Careful scrutiny of the philicity concept Journal of Physical Chemistry A, 110 (03). pp. 1084-1093. ISSN 1089-5639

Chattaraj, P. K. ; Sarkar, U. ; Roy, D. R. ; Elango, M. ; Parthasarathi, R. ; Subramanian, V. (2006) Is electrophilicity a kinetic or a thermodynamic concept? Indian Journal of Chemistry - Section A: Inorganic, Physical, Theoretical and Analytical Chemistry, 45 (5). pp. 1099-1112. ISSN 0376-4710

Sarkar, U. ; Roy, D. R. ; Chattaraj, P. K. ; Parthasarathi, R. ; Padmanabhan, J. ; Subramanian, V. (2005) A conceptual DFT approach towards analysing toxicity Journal of Chemical Sciences, 117 (5). pp. 599-612. ISSN 0253-4134

Roy, D. R. ; Parthasarathi, R. ; Maiti, B. ; Subramanian, V. ; Chattaraj, P. K. (2005) Electrophilicity as a possible descriptor for toxicity prediction Bioorganic & Medicinal Chemistry, 13 (10). pp. 3405-3412. ISSN 0968-0896

Chattaraj, P. K. ; Roy, D. R. ; Elango, M. ; Subramanian, V. (2005) Stability and reactivity of all-metal aromatic and antiaromatic systems in light of the principles of maximum hardness and minimum polarizability Journal of Physical Chemistry A, 109 (42). pp. 9590-9597. ISSN 1089-5639

Parthasarathi, R. ; Subramanian, V. ; Roy, D. R. ; Chattaraj, P. K. (2004) Electrophilicity index as a possible descriptor of biological activity Bioorganic & Medicinal Chemistry, 12 (21). pp. 5533-5543. ISSN 0968-0896