| Explosives properties of high energetic trinitrophenyl nitramide molecules: A DFT and AIM analysis V Anbu, KA Vijayalakshmi, R Karunathan, AD Stephen, PV Nidhin Arabian Journal of Chemistry 12 (5), 621-632, 2019 | 55 | 2019 |
| Topological electron density analysis and electrostatic properties of aspirin: an experimental and theoretical study DS Arputharaj, VR Hathwar, TN Guru Row, P Kumaradhas Crystal growth & design 12 (9), 4357-4366, 2012 | 49 | 2012 |
| 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 |
| 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 |
| Exploring the bond topological properties and the charge depletion-impact sensitivity relationship of high energetic TNT molecule via theoretical charge density analysis AD Stephen, RB Pawar, P Kumaradhas Journal of Molecular Structure: THEOCHEM 959 (1-3), 55-61, 2010 | 19 | 2010 |
| In silico, theoretical biointerface analysis and in vitro kinetic analysis of amine compounds interaction with acetylcholinesterase and butyrylcholinesterase S Kandasamy, C Loganathan, P Sakayanathan, S Karthikeyan, ... International Journal of Biological Macromolecules 185, 750-760, 2021 | 16 | 2021 |
| Topological and electrostatic properties of diclofenac molecule as a non-steroidal anti-inflammatory drug: An experimental and theoretical study RN Devi, AD Stephen, P Justin, K Saravanan, P Macchi, C Jelsch Journal of Molecular Structure 1196, 42-53, 2019 | 15 | 2019 |
| Charge density distribution, electrostatic properties, and impact sensitivity of the high energetic molecule TNB: a theoretical charge density study AD Stephen, P Kumaradhas, RB Pawar Propellants, Explosives, Pyrotechnics 36 (2), 168-174, 2011 | 13 | 2011 |
| 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 |
| 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 | 12 | 2015 |
| Understanding the NN bond cleavage and the electrostatic properties of isoniazid drug molecule via theoretical charge density study G Rajalakshmi, B Devipriya, AR Parameswari, AD Stephen, ... Computational and Theoretical Chemistry 966 (1-3), 259-264, 2011 | 10 | 2011 |
| Probing the weakest bond and the cleavage of p‐chlorobenzaldehyde diperoxide energetic molecule via quantum chemical calculations and theoretical charge … AD Stephen, M Revathi, SN Asthana, RB Pawar, P Kumaradhas International Journal of Quantum Chemistry 111 (14), 3741-3754, 2011 | 8 | 2011 |
| Synthesis, structural, vibrational, molecular docking and nonlinear optical studies of (E)-N′-(2, 3-dimethoxybenzylidene)-4-fluorobenzohydrazide P Jeeva, D Barathi, R Mani, M Louhi-Kultanen, G Vinitha, AG Al-Sehemi Journal of Molecular Structure 1254, 132375, 2022 | 7 | 2022 |
| Binding studies of known molecules with acetylcholinesterase and bovine serum albumin: A comparative view K Saravanan, S Karthikeyan, S Sugarthi, AD Stephen Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 259, 119856, 2021 | 7 | 2021 |
| 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 | 7 | 2012 |
| Theoretical crystal structure prediction of aminosalicylic acid: Charge density topological and electrostatic analyses R Meenashi, K Selvaraju, AD Stephen, C Jelsch Journal of Molecular Structure 1213, 128139, 2020 | 6 | 2020 |
| Sulfamethoxazole: Molecular docking and crystal structure prediction DS Arputharaj, M Rajasekaran, PV Nidhin Results in Chemistry 5, 100716, 2023 | 4 | 2023 |
| Synthesis and crystal structure investigation of pyridine‐2‐(3′‐mercaptopropanoic acid)‐N ‐oxide R Ramasubramanian, S Kumaresan, R Thomas, AD Stephen, ... Crystal Research and Technology: Journal of Experimental and Industrial …, 2007 | 4 | 2007 |
| Experimental Charge Density Analysis of the Anti-inflammatory Drug Meloxicam [sodium 4-hydroxy-2-methyl-N-(5-methyl-1, 3-thiazol-2-yl)-1, 1-dioxo-1$ l^{6}, 2-benzothiazine-3 … N Devi Rajendran, A David Stephen, C Jelsch, EC Escudero-Adán Croatica Chemica Acta 91 (2), 221-232, 2018 | 3 | 2018 |
| 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 |
