Neetu Choudhary

Comparative vibrational spectroscopic studies, HOMO–LUMO and NBO analysis of N-(phenyl)-2,2-dichloroacetamide, N-(2-chloro phenyl)-2,2-dichloroacetamide and N-(4-chloro phenyl)-2,2-dichloroacetamide based on density functional theory

Neetu Choudhary, Saba Bee, Archana Gupta et al. · Computational and Theoretical Chemistry · 2013 · 151 citations

Natural Sciences, Chemistry, Physics +15

Density functional theory studies on the structure, spectra (FT-IR, FT-Raman, and UV) and first order molecular hyperpolarizability of 2-hydroxy-3-methoxy-N-(2-chloro-benzyl)-benzaldehyde-imine: Comparison to experimental data

Parag Agarwal, Neetu Choudhary, Archana Gupta et al. · Vibrational Spectroscopy · 2012 · 58 citations

Natural Sciences, Chemistry, Physics +11

Quantum chemical calculations of conformation, vibrational spectroscopic, electronic, NBO and thermodynamic properties of 2,2-dichloro-N-(2,3-dichlorophenyl) acetamide and 2,2-dichloro-N-(2,3-dichlorophenyl) acetamide

Neetu Choudhary, Parag Agarwal, Archana Gupta · Computational and Theoretical Chemistry · 2014 · 18 citations

Natural Sciences, Chemistry, Physics +16

Molecular structure, vibrational spectroscopic, NBO and HOMO–LUMO studies of 2-amino 6-bromo 3-formylchromone

Archana Gupta, Saba Bee, Neetu Choudhary et al. · Molecular Simulation · 2012 · 14 citations

Natural Sciences, Chemistry, Physics +17