| Bond charge depletion, bond strength and the impact sensitivity of high energetic 1, 3, 5-triamino 2, 4, 6-trinitrobenzene (TATB) molecule: A theoretical charge density analysis AD Stephen, P Srinivasan, P Kumaradhas Computational and Theoretical Chemistry 967 (2-3), 250-256, 2011 | 44 | 2011 |
| A theoretical charge density study on nitrogen-rich 4, 4′, 5, 5′-tetranitro-2, 2′-bi-1H-imidazole (TNBI) energetic molecule P Srinivasan, SN Asthana, RB Pawar, P Kumaradhas Structural Chemistry 22, 1213-1220, 2011 | 21 | 2011 |
| Effect of gold atom contact in conjugated system of one dimensional octane dithiolate based molecular wire: A theoretical charge density study P Srinivasan, AD Stephen, P Kumaradhas Journal of Molecular Structure: THEOCHEM 910 (1-3), 112-121, 2009 | 20 | 2009 |
| DFT and Bader's AIM analysis of 2, 5-, diphenyl-1, 3, 4-oxadizole molecule: A organic light emitting diode (OLED) P Srinivasan, AD Stephen Journal of Theoretical and Computational Chemistry 14 (05), 1550038, 2015 | 13 | 2015 |
| Exploring the bond topological and electrostatic properties of benzimidazole molecule via experimental and theoretical charge density study AD Stephen, R Thomas, P Srinivasan, V Narayayanasamy, ... Journal of molecular structure 989 (1-3), 122-130, 2011 | 13 | 2011 |
| Quantum chemical calculations, spectroscopic studies and molecular docking investigations of the anti-cancer drug quercitrin with B-RAF inhibitor M Govindammal, S Kannan, P Srinivasan, M Prasath Heliyon 8 (5), 2022 | 12 | 2022 |
| Crystal structure prediction and charge density distribution of highly energetic dimethylnitraminotetrazole: a first step for the design of high energy density materials DS Arputharaj, P Srinivasan, SN Asthana, RB Pawar, P Kumaradhas Central European Journal of Energetic Materials 9 (3), 201-217, 2012 | 8 | 2012 |
| Ab initio crystal structure and charge density distribution of a highly energetic 2, 4-dinitrobenzoic acid molecule P Srinivasan, SN Asthana, P Kumaradhas Combustion, Explosion, and Shock Waves 49, 712-722, 2013 | 7 | 2013 |
| Charge Density Distribution, Electrostatic Properties and Sensitivity of the Highly Energetic Molecule 2, 4, 6-Trinitro-1, 3, 5-triazine: A Theoretical Study P Srinivasan, K Maheshwari, M Jothi, P Kumaradhas Central European Journal of Energetic Materials 9 (1), 59-76, 2012 | 6 | 2012 |
| Exploring the Structure, Electron Density and HOMO-LUMO Studies of Tetrathiafulvalene (TTF) as Organic Superconductors: A DFT and AIM P Gnanamozhi, V Pandiyan, P Srinivasan, AD Stephen | 5 | 2019 |
| Crystal Density Prediction, Charge Density Distribution and the Explosive Properties of the Highly Energetic Molecule 2-Methyl-5-nitramino-tetrazole: a DFT and AIM Study P Srinivasan, P Kumaradhas Central European Journal of Energetic Materials 10 (1), 53--68, 2013 | 4 | 2013 |
| Ab Initio Prediction of the Stable Polymorphs of 4-amino-3,5-dinitrobenzamide (DOPLOL) AD Stephen, PV Nidhin, P Srinivasan Croatica Chemica Acta 90 (1), 87-98, 2017 | 3 | 2017 |
| Crystal Structure Prediction and Charge Density Distribution of Highly Energetic Dimethylnitraminotetrazole: A First Step for the Design of High Energy Density Materials A David Stephen, P Srinivasan, SN Asthana, RB Pawar, P Kumaradhas Central European Journal of Energetic Materials 9 (3), 201, 2012 | 2 | 2012 |
| Crystal growth, structural, optical, thermal, DFT and SHG studies of an organic crystal: 2, 6-diaminopyridin-1-ium hydrogen glutarate (2, 6 DAG) K Karthika, C Senthilkumar, KS Dhivya, M Prasath, M Srinivasan, ... Journal of Materials Science: Materials in Electronics 35 (3), 207, 2024 | 1 | 2024 |
| Crystal growth, structural, optical, thermal, second-order nonlinear optical and quantum chemical analyses of glutaric acid 2-imidazolidinone crystal K Karthika, C Senthilkumar, KS Dhivya, M Srinivasan, P Srinivasan Journal of Materials Science: Materials in Electronics 34 (22), 1652, 2023 | 1 | 2023 |
| Crystal Structure, Hirshfeld Surface, Optical, Thermal, NLO, and DFT Analyses of 5‐Methyl‐1H‐Imidazole‐3‐Ium‐4‐Carboxybutanoate crystal K Karthika, C Senthilkumar, KS Dhivya, M Srinivasan, P Srinivasan Crystal Research and Technology, 2300171, 2023 | 1 | 2023 |
| Ab initio prediction of plausible conformers of a flexible N-(3-chloro-4-fluorophenyl)thiourea (CFT) molecule: A validation study AD Stephen, PV Nidhin, P Srinivasan Journal of Structural Chemistry 57, 1085-1095, 2016 | 1 | 2016 |
| Study of Geometrical, Electronic Structure, Spectral, and NLO Properties of Phenyl‐Based Azo Dyes of Dye Sensitizer for Solar Cells: A Theoretical Study KS Dhivya, K Karthika, N Jothibasker, P Srinivasan Crystal Research and Technology, 2300138, 2023 | | 2023 |
| First-Time Observation on Magnetic Behavior of Pure and Doped Tungsten Oxide WO3 Nanoparticles for Magnetic Applications NJ Basker, KS Dhivya, K Karthika, P Srinivasan, G Anandbabu International Journal of Nanoscience 22 (01), 2250055, 2023 | | 2023 |
| Charge Density and Electrical Characteristics of 1, 2-di ([1, 1′-biphenyl]-4-yl) ethyne (DBPE) Molecular Nanowire by Quantum Chemical Study S Palanisamy, P Srinivasan, AD Stephen, K Selvaraju Journal of Computational and Theoretical Nanoscience 15 (5), 1516-1527, 2018 | | 2018 |
Reji ThomasAssistant Professor, Department of Chemistry, Farook CollegeVerified email at farookcollege.ac.in
