Poonam Rawat

A combined experimental and quantum chemical (DFT and AIM) study on molecular structure, spectroscopic properties, NBO and multiple interaction analysis in a novel ethyl 4-[2-(carbamoyl)hydrazinylidene]-3,5-dimethyl-1H-pyrrole-2-carboxylate and its dimer

R.N. Singh, Amit Kumar, R.K. Tiwari et al. · Journal of Molecular Structure · 2012 · 96 citations

Natural Sciences, Chemistry, Physics +16

A combined experimental and theoretical (DFT and AIM) studies on synthesis, molecular structure, spectroscopic properties and multiple interactions analysis in a novel Ethyl-4-[2-(thiocarbamoyl)hydrazinylidene]-3,5-dimethyl-1H-pyrrole-2-carboxylate and its dimer

R.N. Singh, Amit Kumar, R.K. Tiwari et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2013 · 74 citations

Natural Sciences, Chemistry, Computational Chemistry +11

A computational study on conformational geometries, chemical reactivity and inhibitor property of an alkaloid bicuculline with γ-aminobutyric acid (GABA) by DFT

Anubha Srivastava, Poonam Rawat, Poonam Tandon et al. · Computational and Theoretical Chemistry · 2012 · 50 citations

Natural Sciences, Chemistry, Medicinal Chemistry +17

Quantum chemical study on influence of intermolecular hydrogen bonding on the geometry, the atomic charges and the vibrational dynamics of 2,6-dichlorobenzonitrile

Parag Agarwal, Saba Bee, Archana Gupta et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2013 · 46 citations

Natural Sciences, Chemistry, Physics +17

Study of antimicrobial and antioxidant activities of pyrrole-chalcones

Poonam Rawat, R.N. Singh, Alok Ranjan et al. · Journal of Molecular Structure · 2020 · 41 citations

Natural Sciences, Chemistry, Medicinal Chemistry +8