| Charge transfer and nonlinear optical properties of anthraquinone D-π-A dyes in relation with the DFT based molecular descriptors and perturbational potential NN Ayare, VK Shukla, N Sekar Computational and Theoretical Chemistry 1174, 112712, 2020 | 23 | 2020 |
| Red and NIR emitting ring-fused BODIPY/aza-BODIPY dyes VK Shukla, G Chakraborty, AK Ray, S Nagaiyan Dyes and Pigments, 111245, 2023 | 13 | 2023 |
| Effect of bridged spacers and auxiliary acceptors on Dye Sensitized Solar Cell sensitizers: A density functional theory‐based investigation VK Shukla, SJ Sharma, N Sekar International Journal of Quantum Chemistry 123 (7), e27065, 2023 | 1 | 2023 |
| Effect of 3, 4‐ethylenedioxythiophene (EDOT) as Bridged Spacer on DSSC and Non Linear Optical (NLO) Properties: A DFT Approach V Kumari Shukla, N Sekar ChemistrySelect 9 (7), e202305088, 2024 | | 2024 |
| Study of structural characteristics and charge distribution in pyranocoumarins: A computational approach H More, VK Shukla, N Sekar Computational and Theoretical Chemistry 1231, 114438, 2024 | | 2024 |
| Toxicity of 3 and 3, 6-disubstituted coumarins: A computational approach H More, VK Shukla, P Patil, N Sekar Journal of the Indian Chemical Society 100 (12), 101110, 2023 | | 2023 |
| 7 Effect of substituent on photostability and lightfastness of azo dye and their photodegradation mechanism–Mechanistic study using density functional theory VR Mishra, CW Ghanavatkar, VK Shukla, N Sekar Computational Chemistry Methods: Applications, 115, 2020 | | 2020 |
