| Computational studies of vibrational spectra and molecular properties of 6-methyluracil using HF, DFT and MP2 methods T Rasheed, S Ahmad Indian Journal of Physics 85, 239-260, 2011 | 36 | 2011 |
| Electronic structure, nonlinear optical properties, and vibrational analysis of gemifloxacin by density functional theory SA Siddiqui, T Rasheed, M Faisal, AK Pandey, SB Khan Journal of Spectroscopy 27 (3), 185-206, 2012 | 30 | 2012 |
| Quantum chemical study of the interaction of elemental Hg with small neutral, anionic and cationic Aun (n= 1–6) clusters SA Siddiqui, N Bouarissa, T Rasheed, MS Al-Assiri Materials Research Bulletin 48 (3), 995-1002, 2013 | 23 | 2013 |
| Investigation of superhalogen properties of RhFn (n= 1–7) clusters using quantum chemical method SA Siddiqui, AK Pandey, T Rasheed, M Mishra Journal of Fluorine Chemistry 135, 285-291, 2012 | 18 | 2012 |
| Quantum chemical study of IrFn (n = 1–7) clusters: An investigation of superhalogen properties SA Siddiqui, T Rasheed International Journal of Quantum Chemistry 113 (7), 959-965, 2013 | 17 | 2013 |
| Quantum chemical study of PtFn and PtCln (n= 1–6) complexes: An investigation of superhalogen properties SA Siddiqui, T Rasheed, AK Pandey Computational and Theoretical Chemistry 979, 119-127, 2012 | 17 | 2012 |
| Quantum chemical investigations on superhalogen properties of MnFn (n= 1.6) nano-complexes and the consequential possibility of formation of new MnFn–Na salt species T Rasheed, SA Siddiqui, N Bouarissa Journal of Fluorine Chemistry 146, 59-65, 2013 | 16 | 2013 |
| Anharmonic vibrational spectroscopy and investigation of intramolecular mode couplings in adenine T Rasheed, S Ahmad Vibrational Spectroscopy 56 (1), 51-59, 2011 | 13 | 2011 |
| Investigations on the frontier orbitals of FeFn (n= 1–6) superhalogen complexes and prediction of novel salt series Li-(FeFn) T Rasheed, SA Siddiqui, AK Pandey, N Bouarissa, A Al-Hajry Journal of Fluorine Chemistry 195, 85-92, 2017 | 12 | 2017 |
| Approximate solution of the mode–mode coupling integral: application to cytosine and its deuterated derivative T Rasheed, S Ahmad Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 77 (2 …, 2010 | 12 | 2010 |
| Anharmonic vibrational analysis of uracil by ab initio Hartree–Fock and density functional theory calculations T Rasheed, S Ahmad, SM Afzal, K Rahimullah Journal of Molecular Structure: THEOCHEM 895 (1-3), 18-20, 2009 | 12 | 2009 |
| Enhanced photocatalysis and photodetection using highly crystalline CZTS thin films optimized using stabilizers R Mudike, A Bheemaraju, T Rasheed, N Singh, SR Dhage, PD Shivaramu, ... Ceramics International 48 (23), 35666-35675, 2022 | 11 | 2022 |
| Investigation of superhalogen behaviour of RuF n (n = 1–7) clusters: density functional theory (DFT) study SA Siddiqui, T Rasheed, N Bouarissa Bulletin of Materials Science 36, 743-749, 2013 | 8 | 2013 |
| Utilization of asymmetrical electron transport as strategy for modelling and design of efficient single molecule diodes: A DFT investigation A Kargeti, T Rasheed, SA Siddiqui Computational and Theoretical Chemistry 1205, 113441, 2021 | 7 | 2021 |
| Possible use of BN-modified fullerene as a nano-biosensor to detect adenine–thymine Watson–Crick base pair in mutagenic tautomeric form: Theoretical approach SA Siddiqui, T Rasheed, N Bouarissa, A Al-Hajry Journal of Theoretical and Computational Chemistry 14 (01), 1550003, 2015 | 5 | 2015 |
| Exploration of superhalogen nature of Pt (CN) n complexes (n= 1–6) and their abilities to form supersalts and superacids: a DFT–D3 study T Rasheed, SA Siddiqui, A Kargeti, DV Shukla, V Singh, AK Pandey Structural Chemistry 32 (6), 2209-2221, 2021 | 4 | 2021 |
| Exploration of Superacidic Properties of HMnFn (n = 1–6) Using Density Functional Theory A Kargeti, G Sharma, T Rasheed Macromolecular Symposia 388 (1), 1900040, 2019 | 4 | 2019 |
| Design of two novel dyes having maximum absorption in infrared region: A DFT investigation T Rasheed, A Kargeti, SA Siddiqui Materials Today: Proceedings 68, 2715-2719, 2022 | 2 | 2022 |
| Effect of Bridging on D-π-D Structures for Efficient Use in Organic Electronic Devices: DFT Investigation A Kargeti, T Rasheed, SA Siddiqui 2022 IEEE International Conference on Nanoelectronics, Nanophotonics …, 2022 | 1 | 2022 |
| Quantum chemical calculations on molecules with donor-π-acceptor structures for efficient organic field effect transistor A Kargeti, T Rasheed, SA Siddiqui Materials Today: Proceedings 68, 2746-2752, 2022 | 1 | 2022 |
