Anoop Kumar Pandey

FT-IR spectroscopy, intra-molecular C−H⋯O interactions, HOMO, LUMO, MESP analysis and biological activity of two natural products, triclisine and rufescine: DFT and QTAIM approaches

Ambrish Kumar Srivastava, Anoop Kumar Pandey, Sudha Jain et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2014 · 76 citations

Ft-ir Spectroscopy, Biochemistry, Natural Sciences +5

Electronic Structure, Nonlinear Optical Properties, and Vibrational Analysis of Gemifloxacin by Density Functional Theory

Shamoon Ahmad Siddiqui, Tabish Rasheed, M. Faisal et al. · Spectroscopy An International Journal · 2012 · 26 citations · Full text

Excited State Property, Nonlinear Optical Properties, Normal Modes +15

Structural, Electronic, and Vibrational Properties of Isoniazid and Its Derivative N-Cyclopentylidenepyridine-4-carbohydrazide: A Quantum Chemical Study

Anoop Kumar Pandey, Abhishek Bajpai, Vikas Baboo et al. · Journal of Theoretical Chemistry · 2014 · 23 citations · Full text

Total Energy, Engineering, Infrared Wavenumbers +17

Molecular structure and vibrational spectra of 2-formyl benzonitrile by density functional theory and ab initio Hartree–Fock calculations

Neeraj Misra, Onkar Prasad, Leena Sinha et al. · Journal of Molecular Structure THEOCHEM · 2007 · 22 citations

Molecular Spectroscopy, 2-Formyl Benzonitrile, Physics +7

Comparative Study of Vibrational Spectra of Two Bioactive Natural Products Lupeol and Lupenone Using MM/QM Method

Apoorva Dwivedi, Anoop Kumar Pandey, Kanwal Raj et al. · Spectroscopy An International Journal · 2012 · 18 citations · Full text

Computational Chemistry, Chemistry, Spectra-structure Correlation +16