Vikas Baboo

Fukui Function Analysis and Optical, Electronic, and Vibrational Properties of Tetrahydrofuran and Its Derivatives: A Complete Quantum Chemical Study

Apoorva Dwivedi, Vikas Baboo, Abhishek Bajpai · Journal of Theoretical Chemistry · 2015 · 42 citations · Full text

Engineering, Computational Chemistry, Vibrational Properties +18

Molecular structure, heteronuclear resonance assisted hydrogen bond analysis, chemical reactivity and first hyperpolarizability of a novel ethyl-4-{[(2,4-dinitrophenyl)-hydrazono]-ethyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate: A combined DFT and AIM approach

R.N. Singh, Amit Kumar, R.K. Tiwari et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2012 · 35 citations

Aim Approach, Engineering, Combined Dft +6

Molecular structure, spectral studies, intra and intermolecular interactions analyses in a novel ethyl 4-[3-(2-chloro-phenyl)-acryloyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate and its dimer: A combined DFT and AIM approach

R.N. Singh, Vikas Baboo, Poonam Rawat et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2012 · 32 citations

Aim Approach, Engineering, Combined Dft +5

Synthesis, molecular structure and spectral analysis of ethyl 4-formyl-3,5-dimethyl-1H-pyrrole-2-carboxylate thiosemicarbazone: A combined DFT and AIM approach

R.N. Singh, Amit Kumar, R.K. Tiwari et al. · Journal of Molecular Structure · 2012 · 28 citations

Combinatorial Chemistry, Aim Approach, Engineering +8

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