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 |
Synthesis and characterization of nanostructured magnesium oxide: insight from solid-state density functional theory calculations N Singh, PK Singh, A Shukla, S Singh, P Tandon Journal of Inorganic and Organometallic Polymers and Materials 26, 1413-1420, 2016 | 24 | 2016 |
Molecular structure, spectroscopic signature and reactivity analyses of paracetamol hydrochloride monohydrate salt using density functional theory calculations K Srivastava, A Shukla, T Karthick, SP Velaga, P Tandon, K Sinha, ... CrystEngComm 21 (5), 857-865, 2019 | 18 | 2019 |
Vibrational spectra, hydrogen bonding interactions and chemical reactivity analysis of nicotinamide–citric acid cocrystals by an experimental and theoretical approach P Verma, A Srivastava, A Shukla, P Tandon, MR Shimpi New Journal of Chemistry 43 (40), 15956-15967, 2019 | 15 | 2019 |
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 |
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 |
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 |
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 |
Proceedings of the sixth international conference on perspectives in vibrational spectroscopy P Tandon, E Khan, A Shukla | | 2016 |