| Exploring the size dependence of cyclic and acyclic π-systems on cation–π binding D Vijay, GN Sastry Physical Chemistry Chemical Physics 10 (4), 582-590, 2008 | 169 | 2008 |
| The cooperativity of cation–π and π–π interactions D Vijay, GN Sastry Chemical Physics Letters 485 (1), 235-242, 2010 | 150 | 2010 |
| On the Cooperativity of Cation− π and Hydrogen Bonding Interactions D Vijay, H Zipse, GN Sastry The Journal of Physical Chemistry B 112 (30), 8863-8867, 2008 | 135 | 2008 |
| Reply to ‘Comment on “From subtle to substantial: Role of metal ions on π-π interactions”’ AS Reddy, D Vijay, GM Sastry, GN Sastry J. Phys. Chem. B 110 (20), 10206-10207, 2006 | 105* | 2006 |
| From subtle to substantial: Role of metal ions on π-π interactions AS Reddy, D Vijay, GM Sastry, GN Sastry The Journal of Physical Chemistry B 110 (6), 2479-2481, 2006 | 104 | 2006 |
| Where to bind in buckybowls? The dilemma of a metal ion D Vijay, H Sakurai, V Subramanian, GN Sastry Physical Chemistry Chemical Physics 14 (9), 3057-3065, 2012 | 89 | 2012 |
| A Computational Study on π and σ Modes of Metal Ion Binding to Heteroaromatics (CH) 5-m X m and (CH) 6-m X m (X= N and P): Contrasting Preferences Between Nitrogen-and … D Vijay, GN Sastry The Journal of Physical Chemistry A 110 (33), 10148-10154, 2006 | 69 | 2006 |
| Hydroxy-assisted catalyst-free Michael addition-dehydroxylation of Baylis–Hillman adducts in poly (ethylene glycol) S Chandrasekhar, B Saritha, V Jagadeshwar, C Narsihmulu, D Vijay, ... Tetrahedron letters 47 (17), 2981-2984, 2006 | 47 | 2006 |
| The significance of the alkene size and the nature of the metal ion in metal–alkene complexes: a theoretical study JR Premkumar, D Vijay, GN Sastry Dalton Transactions 41 (16), 4965-4975, 2012 | 46 | 2012 |
| The impact of basis set superposition error on the structure of π π dimers D Vijay, H Sakurai, GN Sastry International Journal of Quantum Chemistry 111 (9), 1893-1901, 2011 | 46 | 2011 |
| Rational Design of Carbazole and Carboline Based Ambipolar Host Materials for Blue Electrophosphorescence: A Density Functional Theory Study E Varathan, D Vijay, V Subramanian The Journal of Physical Chemistry C, 2014 | 43 | 2014 |
| Buckybowls as adsorbents for CO2, CH4, and C2H2: Binding and structural insights from computational study MA Hussain, D Vijay, GN Sastry Journal of computational chemistry 37 (3), 366-377, 2016 | 36 | 2016 |
| Computational Design of High Triplet Energy Host Materials for Phosphorescent Blue Emitters V Subramanian, E Varathan, D Vijay, PSV Kumar J. Mater. Chem. C, 2013 | 36 | 2013 |
| Theoretical design of core modified (oxa and thia) porphyrin based organic dyes with bridging thiophene linkers D Vijay, E Varathan, V Subramanian Journal of Materials Chemistry A, 2013 | 32 | 2013 |
| Design, synthesis and cytotoxic studies on the simplified oxy analog of eleutherobin S Chandrasekhar, V Jagadeshwar, C Narsihmulu, M Sarangapani, ... Bioorganic & medicinal chemistry letters 14 (14), 3687-3689, 2004 | 29 | 2004 |
| A computational investigation and the conformational analysis of dimers, anions, cations, and zwitterions of L‐phenylalanine U Purushotham, D Vijay, G Narahari Sastry Journal of computational chemistry 33 (1), 44-59, 2012 | 25 | 2012 |
| Peculiar basis set dependence of the energetics of C 2 S 2 H 2 isomers. In search of adequate and affordable basis set for routine calculations D Vijay, GN Sastry Journal of Molecular Structure: THEOCHEM 732 (1), 71-78, 2005 | 23 | 2005 |
| Peculiar basis set dependence of the energetics of C2S2H2 isomers. In search of adequate and affordable basis set for routine calculations D Vijay, GN Sastry Journal of Molecular Structure-THEOCHEM 732 (1), 71-78, 2005 | 23 | 2005 |
| Relative energies of C< sub> 2</sub> O< sub> 2</sub> H< sub> 2</sub> isomers and their ionized counterparts: possibility of bond stretch isomerism D Vijay, GN Sastry Journal of Molecular Structure: THEOCHEM 714 (2), 199-207, 2005 | 18 | 2005 |
| The role of C–H... π interaction in the stabilization of benzene and adamantane clusters# RM KUMAR, M ELANGO, R PARTHASARATHI, D VIJAY, ... Journal of Chemical Sciences 124 (1), 193-202, 2012 | 14 | 2012 |
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