Eram Khan

Molecular structure, spectral analysis and hydrogen bonding analysis of ampicillin trihydrate: a combined DFT and AIM approach

Eram Khan, Anuradha Shukla, Anubha Srivastava et al. · New Journal of Chemistry · 2015 · 62 citations

Active Sites, Antimicrobial Chemotherapy, Chemistry +19

Study of molecular interactions and chemical reactivity of the nitrofurantoin–3-aminobenzoic acid cocrystal using quantum chemical and spectroscopic (IR, Raman, ¹³C SS-NMR) approaches

Anuradha Shukla, Eram Khan, K.S. Srivastava et al. · CrystEngComm · 2017 · 49 citations

Drug Target, Engineering, Organic Chemistry +18

Study of molecular structure, chemical reactivity and H-bonding interactions in the cocrystal of nitrofurantoin with urea

Eram Khan, Anuradha Shukla, Niten Jadav et al. · New Journal of Chemistry · 2017 · 30 citations · Full text

Inorganic Chemistry, Bioorganic Chemistry, Engineering +13

Molecular structure and hydrogen bond interactions of a paracetamol–4,4′-bipyridine cocrystal studied using a vibrational spectroscopic and quantum chemical approach

K.S. Srivastava, Eram Khan, Manishkumar R. Shimpi et al. · CrystEngComm · 2017 · 26 citations

Engineering, Physicochemical Analysis, Natural Sciences +12

A computational study on molecular structure, multiple interactions, chemical reactivity and molecular docking studies on 6[D (−) α-amino-phenyl-acetamido] penicillanic acid (ampicillin)

Anuradha Shukla, Eram Khan, Anubha Srivastava et al. · Molecular Simulation · 2015 · 16 citations

Bioorganic Chemistry, Engineering, Electronic Properties +21