Enhanced diradical nature in oxyallyl derivatives leads to near infra red absorption: A comparative study of the squaraine and croconate dyes using computational techniques K Srinivas, C Prabhakar, CL Devi, K Yesudas, K Bhanuprakash, VJ Rao The Journal of Physical Chemistry A 111 (17), 3378-3386, 2007 | 91 | 2007 |
Site-selective hydrogen-bonding-induced fluorescence quenching of highly solvatofluorochromic GFP-like chromophores GJ Huang, JH Ho, C Prabhakar, YH Liu, SM Peng, JS Yang Organic letters 14 (19), 5034-5037, 2012 | 86 | 2012 |
In-silico strategies for probing chloroquine based inhibitors against SARS-CoV-2 S Beura, P Chetti Journal of Biomolecular Structure and Dynamics 39 (10), 3747-3759, 2021 | 58 | 2021 |
Third order nonlinear optical properties of squaraine dyes having absorption below 500 nm: a combined experimental and theoretical investigation of closed shell oxyallyl … C Prabhakar, K Bhanuprakash, VJ Rao, M Balamuralikrishna, DN Rao The Journal of Physical Chemistry C 114 (13), 6077-6089, 2010 | 58 | 2010 |
Near-infrared absorption in symmetric squarylium and croconate dyes: a comparative study using symmetry-adapted cluster-configuration interaction methods C Prabhakar, K Yesudas, G Krishna Chaitanya, S Sitha, K Bhanuprakash, ... The Journal of Physical Chemistry A 109 (38), 8604-8616, 2005 | 54 | 2005 |
Influence of internal acceptor and thiophene based π-spacer in DA-π-A system on photophysical and charge transport properties for efficient DSSCs: A DFT insight A Tripathi, A Ganjoo, P Chetti Solar Energy 209, 194-205, 2020 | 48 | 2020 |
Ortho-branched ladder-type oligophenylenes with two-dimensionally π-conjugated electronic properties HH Huang, C Prabhakar, KC Tang, PT Chou, GJ Huang, JS Yang Journal of the American Chemical Society 133 (20), 8028-8039, 2011 | 47 | 2011 |
Role of the oxyallyl substructure in the Near Infrared (NIR) absorption in symmetrical dye derivatives: A computational study C Prabhakar, GK Chaitanya, S Sitha, K Bhanuprakash, VJ Rao The Journal of Physical Chemistry A 109 (11), 2614-2622, 2005 | 44 | 2005 |
Linear and nonlinear optical properties of mesoionic oxyallyl derivatives: enhanced non-resonant third order optical nonlinearity in croconate dyes C Prabhakar, K Yesudas, K Bhanuprakash, VJ Rao, RS Santosh Kumar, ... The Journal of Physical Chemistry C 112 (34), 13272-13280, 2008 | 43 | 2008 |
Effects of Hydrogen Bonding on Internal Conversion of GFP-like Chromophores. II. The meta-Amino Systems CW Cheng, GJ Huang, HY Hsu, C Prabhakar, YP Lee, EWG Diau, ... The Journal of Physical Chemistry B 117 (9), 2705-2716, 2013 | 37 | 2013 |
A redox-gated slow-fast-stop molecular rotor CH Yang, C Prabhakar, SL Huang, YC Lin, WS Tan, NC Misra, WT Sun, ... Organic Letters 13 (20), 5632-5635, 2011 | 37 | 2011 |
Effects of Hydrogen Bonding on Internal Conversion of GFP-like Chromophores. I. The para-Amino Systems GJ Huang, CW Cheng, HY Hsu, C Prabhakar, YP Lee, EWG Diau, ... The Journal of Physical Chemistry B 117 (9), 2695-2704, 2013 | 36 | 2013 |
Estimation of the first excitation energy in diradicaloid croconate dyes having absorption in the near infra red (NIR): A DFT and SF-TDDFT study A Thomas, K Srinivas, C Prabhakar, K Bhanuprakash, VJ Rao Chemical Physics Letters 454 (1-3), 36-41, 2008 | 36 | 2008 |
Star-shaped oligothiophenes containing an isotruxene core: synthesis, electronic properties, electropolymerization, and film morphology TA Liu, C Prabhakar, JY Yu, C Chen, HH Huang, JS Yang Macromolecules 45 (11), 4529-4539, 2012 | 31 | 2012 |
Low cost ‘green’dye sensitized solar cells based on New Fuchsin dye with aqueous electrolyte and platinum-free counter electrodes RK Kokal, S Bhattacharya, LS Cardoso, PB Miranda, VR Soma, P Chetti, ... Solar Energy 188, 913-923, 2019 | 28 | 2019 |
Structure, bonding, and lowest energy transitions in unsymmetrical squaraines: A computational study K Yesudas, GK Chaitanya, C Prabhakar, K Bhanuprakash, VJ Rao The Journal of Physical Chemistry A 110 (41), 11717-11729, 2006 | 28 | 2006 |
Identification of potential human COX-2 inhibitors using computational modeling and molecular dynamics simulations S Beura, P Chetti Journal of Molecular Structure 1216, 128271, 2020 | 25 | 2020 |
Triazolopyridine hybrids as bipolar host materials for green phosphorescent organic light-emitting diodes (OLEDs) KS Vadagaonkar, CJ Yang, WH Zeng, JH Chen, BN Patil, P Chetti, ... Dyes and Pigments 160, 301-314, 2019 | 25 | 2019 |
Iron Catalyzed Cascade Protocol for the Synthesis of Pyrrolo [1, 2‐a] quinoxalines: A Powerful Tool to Access Solid State Emissive Organic Luminophores JJ Lade, BN Patil, PA Sathe, KS Vadagaonkar, P Chetti, AC Chaskar ChemistrySelect 2 (23), 6811-6817, 2017 | 25 | 2017 |
Optoelectronic and charge‐transport properties of truxene, isotruxene, and its heteroatomic (N, O, Si, and S) analogs: A DFT study A Tripathi, C Prabhakar Journal of Physical Organic Chemistry 32 (6), e3944, 2019 | 24 | 2019 |