| Zinc-porphyrin based dyes for dye-sensitized solar cells S Karthikeyan, JY Lee The Journal of Physical Chemistry A 117 (42), 10973-10979, 2013 | 99 | 2013 |
| Tuning the C–H··· π interaction by different substitutions in benzene–acetylene complexes BK Mishra, S Karthikeyan, V Ramanathan Journal of Chemical Theory and Computation 8 (6), 1935-1942, 2012 | 95 | 2012 |
| Influence of the substituents on the CH... π interaction: benzene–methane complex S Karthikeyan, V Ramanathan, BK Mishra The Journal of Physical Chemistry A 117 (30), 6687-6694, 2013 | 90 | 2013 |
| How different are aromatic π interactions from aliphatic π interactions and non-π stacking interactions? KS Kim, S Karthikeyan, NJ Singh Journal of Chemical Theory and Computation 7 (11), 3471-3477, 2011 | 83 | 2011 |
| Molecular design and synthesis of ruthenium (II) sensitizers for highly efficient dye-sensitized solar cells A Anthonysamy, Y Lee, B Karunagaran, V Ganapathy, SW Rhee, ... Journal of Materials Chemistry 21 (33), 12389-12397, 2011 | 53 | 2011 |
| On the nature of stabilization in weak, medium, and strong charge-transfer complexes: CCSD (T)/CBS and SAPT calculations S Karthikeyan, R Sedlak, P Hobza The Journal of Physical Chemistry A 115 (34), 9422-9428, 2011 | 50 | 2011 |
| Do N-heterocyclic aromatic rings prefer π-stacking? M Guin, GN Patwari, S Karthikeyan, KS Kim Physical Chemistry Chemical Physics 13 (13), 5514-5525, 2011 | 45 | 2011 |
| Drastic modulation of stimuli-responsive fluorescence by a subtle structural change of organic fluorophore and polymorphism controlled mechanofluorochromism PS Hariharan, G Parthasarathy, A Kundu, S Karthikeyan, Y Sagara, ... Crystal Growth & Design 18 (7), 3971-3979, 2018 | 44 | 2018 |
| Undissociated versus Dissociated Structures for Water Clusters and Ammonia−Water Clusters: (H2O)n and NH3(H2O)n−1 (n = 5, 8, 9, 21). Theoretical Study S Karthikeyan, NJ Singh, KS Kim The Journal of Physical Chemistry A 112 (29), 6527-6532, 2008 | 43 | 2008 |
| Structures, energetics, vibrational spectra of NH4+ (H2O) n= 4, 6 clusters: Ab initio calculations and first principles molecular dynamics simulations S Karthikeyan, JN Singh, M Park, R Kumar, KS Kim The Journal of Chemical Physics 128 (24), 2008 | 40 | 2008 |
| Temperature-controlled locally excited and twisted intramolecular charge-transfer state-dependent fluorescence switching in triphenylamine–benzothiazole derivatives A Kundu, S Karthikeyan, Y Sagara, D Moon, SP Anthony ACS omega 4 (3), 5147-5154, 2019 | 39 | 2019 |
| Origins of the stability of imidazole–imidazole, benzene–imidazole, and benzene–indole dimers: CCSD (T)/CBS and SAPT calculations S Karthikeyan, S Nagase The Journal of Physical Chemistry A 116 (7), 1694-1700, 2012 | 37 | 2012 |
| Synthesis of tunable, red fluorescent aggregation-enhanced emissive organic fluorophores: stimuli-responsive high contrast off–on fluorescence switching PS Hariharan, P Gayathri, A Kundu, S Karthikeyan, D Moon, SP Anthony CrystEngComm 20 (5), 643-651, 2018 | 33 | 2018 |
| Structure, Stability, Thermodynamic Properties, and Infrared Spectra of the Protonated Water Octamer H+(H2O)8 S Karthikeyan, M Park, I Shin, KS Kim The Journal of Physical Chemistry A 112 (41), 10120-10124, 2008 | 33 | 2008 |
| Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced … P Gayathri, S Karthikeyan, M Pannipara, AG Al-Sehemi, D Moon, ... CrystEngComm 21 (43), 6604-6612, 2019 | 32 | 2019 |
| Binary complexes of tertiary amines with phenylacetylene. Dispersion wins over electrostatics S Maity, GN Patwari, S Karthikeyan, KS Kim Physical Chemistry Chemical Physics 12 (23), 6150-6156, 2010 | 31 | 2010 |
| A π-stacked phenylacetylene and 1, 3, 5-triazine heterodimer: a combined spectroscopic and ab initio investigation M Guin, GN Patwari, S Karthikeyan, KS Kim Physical Chemistry Chemical Physics 11 (47), 11207-11212, 2009 | 31 | 2009 |
| Halogen atom and position dependent strong enhancement of solid‐state fluorescence and stimuli responsive reversible fluorescence switching P Gayathri, S Karthikeyan, D Moon, SP Anthony ChemistrySelect 4 (13), 3884-3890, 2019 | 29 | 2019 |
| Structure, Stabilities, Thermodynamic Properties, and IR Spectra of Acetylene Clusters (C2H2)n=2−5 S Karthikeyan, HM Lee, KS Kim Journal of Chemical Theory and Computation 6 (10), 3190-3197, 2010 | 25 | 2010 |
| Self-reversible thermofluorochromism of D–A–D triphenylamine derivatives and the effect of molecular conformation and packing A Kundu, S Karthikeyan, D Moon, SP Anthony CrystEngComm 19 (46), 6979-6985, 2017 | 24 | 2017 |