Items where Author is "Elango, M."

Gnanadhas, D. P. ; Ben Thomas, M. ; Elango, M. ; Raichur, A. M. ; Chakravortty, D. (2013) Chitosan-dextran sulphate nanocapsule drug delivery system as an effective therapeutic against intraphagosomal pathogen Salmonella Journal of Antimicrobial Chemotherapy, 68 (11). pp. 2576-2586. ISSN 0305-7453

Gnanadhas, D. P. ; Ben Thomas, M. ; Elango, M. ; Raichur, A. M. ; Chakravortty, D. (2013) Chitosan-dextran sulphate nanocapsule drug delivery system as an effective therapeutic against intraphagosomal pathogen Salmonella Journal of Antimicrobial Chemotherapy, 68 (11). pp. 2576-2586. ISSN 0305-7453

Kumar, R. Mahesh ; Elango, M. ; Parthasarathi, V. ; Vijay, Dolly ; Subramanian, V. (2012) The role C-H... π interaction in the stabilization of benzene and adamantane clusters Journal of Chemical Sciences, 124 (1). pp. 193-202. ISSN 0253-4134

Prakash, M. ; Elango, M. ; Subramanian, V. (2011) Adsorption of hydrogen molecules on the alkali metal ion decorated boric acid clusters: a density functional theory investigation International Journal of Hydrogen Energy, 36 (6). pp. 3922-3931. ISSN 0360-3199

Kumar, R. Mahesh ; Elango, M. ; Parthasarathi, R. ; Subramanian, V. (2011) Density functional theory studies on ice nanotubes The Journal of Physical Chemistry A, 115 (45). pp. 12841-12851. ISSN 1089-5639

Kumar, R. Mahesh ; Elango, M. ; Subramanian, V. (2010) Carbohydrate-aromatic interactions: the role of curvature on XH···π interactions The Journal of Physical Chemistry A, 114 (12). pp. 4313-4324. ISSN 1089-5639

Elango, M. ; Subramanian, V. ; Sathyamurthy, N. (2009) Structure and stability of spiro-cyclic water clusters Journal of Chemical Sciences, 121 (5). pp. 839-848. ISSN 0253-4134

Parthasarathi, R. ; Elango, M. ; Subramanian, V. ; Sathyamurthy, N. (2009) Structure and stability of water chains (H₂O)_n, n=5-20 Journal of Physical Chemistry A, 113 (16). pp. 3744-3749. ISSN 1089-5639

Kumar, K. Karthik ; Elango, M. ; Subramanian, V. ; Das, T. Mohan (2009) Novel saccharide–pyridine based gelators: selective gelation and diversity in superstructures New Journal of Chemistry, 33 (7). pp. 1570-1577. ISSN 1144-0546

Parthasarathi, R. ; Elango, M. ; Subramanian, V. ; Sathyamurthy, N. (2009) Structure and stability of water chains (H₂O)_n,n= 5−20† The Journal of Physical Chemistry A, 113 (16). pp. 3744-3749. ISSN 1089-5639

Elango, M. ; Subramanian, V. ; Sathyamurthy, N. (2008) The self-assembly of metaboric acid molecules into bowls, balls and sheets Journal of Physical Chemistry A, 112 (35). pp. 8107-8115. ISSN 1089-5639

De Proft, F. ; Chattaraj, P. K. ; Ayers, P. W. ; Torrent-Sucarrat, M. ; Elango, M. ; Subramanian, V. ; Giri, S. ; Geerlings, P. (2008) Initial hardness response and hardness profiles in the study of Woodward-Hoffmann rules for electrocyclizations Journal of Chemical Theory and Computation, 4 (4). pp. 595-602. ISSN 1549-9618

Elango, M. ; Subramanian, V. ; Rahalkar, Anuja P. ; Gadre, Shridhar R. ; Sathyamurthy, N. (2008) Structure, energetics, and reactivity of boric acid nanotubes: a molecular tailoring approach Journal of Physical Chemistry A, 112 (33). pp. 7699-7704. ISSN 1089-5639

Elango, M. ; Parthasarathi, R. ; Subramanian, V. ; Chattaraj, P. K. (2007) Chemical reactivity patterns of [n]paracyclophanes Journal of Molecular Structure (Theochem), 820 (1-3). pp. 1-6. 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

Parthasarathi, R. ; Padmanabhan, J. ; Elango, M. ; Chitra, K. ; Subramanian, V. ; Chattaraj, P. K. (2006) Pk_a prediction using group philicity Journal of Physical Chemistry A, 110 (20). pp. 6540-6544. ISSN 1089-5639

Elango, M. ; Parthasarathi, R. ; Subramanian, V. ; Ramachandran, C. N. ; Sathyamurthy, N. (2006) Hydrogen peroxide clusters: the role of open book motif in cage and helical structures Journal of Physical Chemistry A, 110 (19). pp. 6294-6300. ISSN 1089-5639

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

Elango, M. ; Parthasarathi, R. ; Subramanian, V. ; Chattaraj, P. K. (2006) Alkylation of enolates: an electrophilicity perspective International Journal of Quantum Chemistry, 106 (4). pp. 852-862. ISSN 0020-7608

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

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

Parthasarathi, R. ; Padmanabhan, J. ; Elango, M. ; Chitra, K. ; Subramanian, V. ; Chattaraj, P. K. (2006) pKa Prediction Using Group Philicity The Journal of Physical Chemistry A, 110 (20). pp. 6540-6544. ISSN 1089-5639

Elango, M. ; Parthasarathi, R. ; Subramanian, V. ; Sathyamurthy, N. (2005) Bowls, balls and sheets of boric acid clusters: the role of pentagon and hexagon motifs Journal of Physical Chemistry A, 109 (38). pp. 8587-8593. ISSN 1089-5639

Elango, M. ; Parthasarathi, R. ; Subramanian, V. ; Sarkar, U. ; Chattaraj, P. K. (2005) Formaldehyde decomposition through profiles of global reactivity indices Journal of Molecular Structure (Theochem), 723 (1-3). pp. 43-52. ISSN 0166-1280

Elango, M. ; Parthasarathi, R. ; Karthik Narayanan, G. ; Sabeelullah, A. Md. ; Sarkar, U. ; Venkatasubramaniyan, N. S. ; Subramanian, V. ; Chattaraj, P. K. (2005) Relationship between electrophilicity index, Hammett constant and nucleus-independent chemical shift Journal of Chemical Sciences, 117 (1). pp. 61-65. ISSN 0253-4134

Elango, M. ; Subramanian, V. (2005) Density functional theoretical investigation on influence of heterosubstitution and benzannelation on the thermal 6π electrocyclization of cis-cyclononatetraene The Journal of Physical Chemistry A, 109 (51). pp. 11870-11877. ISSN 1089-5639

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. ; Elango, M. ; Subramanian, V. ; Chattaraj, P. K. (2005) Variation of electrophilicity during molecular vibrations and internal rotations Theoretical Chemistry Accounts: Theory, Computation, and Modeling / Theoretica Chimica Acta, 113 (5). pp. 257-266. ISSN 1432-881X

Parthasarathi, R. ; Padmanabhan, J. ; Elango, M. ; Subramanian, V. ; Chattaraj, P. K. (2004) Intermolecular reactivity through the generalized philicity concept Chemical Physics Letters, 394 (4-6). pp. 225-230. ISSN 0009-2614