| Molecular structure, spectral analysis and hydrogen bonding analysis of ampicillin trihydrate: a combined DFT and AIM approach E Khan, A Shukla, A Srivastava, P Tandon New Journal of Chemistry 39 (12), 9800-9812, 2015 | 64 | 2015 |
| Study of molecular interactions and chemical reactivity of the nitrofurantoin–3-aminobenzoic acid cocrystal using quantum chemical and spectroscopic (IR, Raman, 13 C SS-NMR … A Shukla, E Khan, K Srivastava, K Sinha, P Tandon, VR Vangala CrystEngComm 19 (28), 3921-3930, 2017 | 41 | 2017 |
| Study of molecular structure, chemical reactivity and H-bonding interactions in the cocrystal of nitrofurantoin with urea E Khan, A Shukla, N Jadav, R Telford, AP Ayala, P Tandon, VR Vangala New Journal of Chemistry 41 (19), 11069-11078, 2017 | 30 | 2017 |
| Molecular structure and hydrogen bond interactions of a paracetamol–4, 4′-bipyridine cocrystal studied using a vibrational spectroscopic and quantum chemical approach K Srivastava, E Khan, MR Shimpi, P Tandon, K Sinha, SP Velaga CrystEngComm 20 (2), 213-222, 2018 | 21 | 2018 |
| Study of vibrational spectra and hydrogen bonding network in dimeric and tetrameric model of ampicillin using DFT and AIM approach A Shukla, E Khan, P Tandon, K Sinha Journal of Molecular Structure 1131, 225-235, 2017 | 13 | 2017 |
| A theoretical study on molecular structure, chemical reactivity and molecular docking studies on dalbergin and methyldalbergin E Khan, P Tandon, R Maurya, P Kumar Journal of Molecular Structure 1183, 100-106, 2019 | 12 | 2019 |
| Nitrofurantoin-melamine monohydrate (cocrystal hydrate): Probing the role of H-bonding on the structure and properties using quantum chemical calculations and vibrational … E Khan, A Shukla, AN Jhariya, P Tandon, VR Vangala Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 221, 117170, 2019 | 11 | 2019 |
| A computational study on molecular structure, multiple interactions, chemical reactivity and molecular docking studies on 6 [D (−) α-amino-phenyl-acetamido] penicillanic acid … A Shukla, E Khan, A Srivastava, P Tandon, K Sinha Molecular Simulation 42 (11), 863-873, 2016 | 11 | 2016 |
| Spectroscopic (FT-IR, FT-Raman, and 13 C SS-NMR) and quantum chemical investigations to provide structural insights into nitrofurantoin–4-hydroxybenzoic acid cocrystals A Shukla, E Khan, MHDB Alsirawan, R Mandal, P Tandon, VR Vangala New Journal of Chemistry 43 (18), 7136-7149, 2019 | 10 | 2019 |
| N-Acetylcysteine versus arsenic poisoning: A mechanistic study of complexation by molecular spectroscopy and density functional theory M Das, KK Singh, E Khan, RK Sinha, RK Singh, P Tandon, ... Journal of molecular liquids 340, 117168, 2021 | 7 | 2021 |
| Structural and reactivity analyses of nitrofurantoin–4-dimethylaminopyridine salt using spectroscopic and density functional theory calculations E Khan, A Shukla, K Srivastava, D Gangopadhyay, KH Assi, P Tandon, ... Crystals 9 (8), 413, 2019 | 6 | 2019 |
| Spectroscopic and theoretical studies of dalbergin and Methyldalbergin E Khan, P Tandon, P Bharti, P Kumar, R Maurya Journal of Molecular Structure 1156, 243-254, 2018 | 6 | 2018 |
| Structural reactivity analyses of a neoflavonoid 4-methoxydalbergione using vibrational spectroscopy and quantum chemical calculations E Khan, P Prajapati, P Tandon, P Bharti, P Kumar, R Maurya Journal of Molecular Structure 1175, 28-38, 2019 | 5 | 2019 |
| Study of pharmaceutical cocrystal using experimental and computational techniques: An overview E Khan, K Srivastava, A Shukla, J Pandey, P Prajapati, P Tandon Proceedings of International Conference on Perspectives in Vibrational …, 2016 | 3 | 2016 |
| Structural insights, spectral and H-bond analyses, of nitrofurantoin-phenazine cocrystal and comparison of its chemical reactivity with other nitrofurantoin cocrystals E Khan, A Shukla, MAS Al-Hanafi, P Tandon, VR Vangala Journal of Molecular Structure 1247, 131387, 2022 | 1 | 2022 |
| Experimental and quantum chemical studies on the structure and vibrational spectra of cearoin (a neoflavonoid) Shweta, E Khan, P Tandon, P Bharti, P Kumar, R Maurya Canadian Journal of Physics 95 (10), 905-915, 2017 | 1 | 2017 |
| Theoretical investigation on hyperpolarizability and the structure-reactivity relationship of paracetamol, its cocrystal and salt K Srivastava, E Khan, P Tandon PROCEEDING OF INTERNATIONAL SYMPOSIUM ON ADVANCES IN FUNCTIONAL AND …, 2019 | | 2019 |
| An investigation on the nonlinear optical (NLO) properties of four neoflavonoids: cearoin, dalbergin, methyldalbergin, and 4-methoxydalbergione E Khan, K Srivastava, PT Shweta PROCEEDING OF INTERNATIONAL SYMPOSIUM ON ADVANCES IN FUNCTIONAL AND …, 2019 | | 2019 |
| Proceedings of the sixth international conference on perspectives in vibrational spectroscopy P Tandon, E Khan, A Shukla | | 2016 |
| Structural Characterization of Active Pharmaceutical Ingredients and Cocrystals Using Spectroscopic and Quantum Chemical Approach E Khan Lucknow, 0 | | |
Poonam TandonLucknow UniversityVerified email at lkouniv.ac.in
