V. K. Rastogi

3,5-Difluorobenzonitrile: ab initio calculations, FTIR and Raman spectra

V. K. Rastogi, M. Alcolea Palafox, R.P Tanwar et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2002 · 188 citations

Natural Sciences, Spectroscopy, Ab Initio Calculations +6

Quantum chemical predictions of the vibrational spectra of polyatomic molecules.

M. Alcolea Palafox, V. K. Rastogi · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2002 · 176 citations

Excited State Property, Vibronic Interaction, Engineering +12

Scaling factors for the prediction of vibrational spectra. II. The aniline molecule and several derivatives

M. Alcolea Palafox, Michael Gill, Noemí Núñez et al. · International Journal of Quantum Chemistry · 2005 · 159 citations

Engineering, Internal Rotation, Computational Chemistry +21

FT-IR, FT-Raman spectra, density functional computations of the vibrational spectra and molecular geometry of biomolecule 5-aminouracil

M. Alcolea Palafox, G. Tardajos, Andrés Guerrero‐Martínez et al. · Chemical Physics · 2007 · 102 citations

Molecular Spectroscopy, Vibrational Spectra, Density Functional Computations +9

FTIR and FT‐Raman spectra and density functional computations of the vibrational spectra, molecular geometry and atomic charges of the biomolecule: 5‐bromouracil

V. K. Rastogi, M. Alcolea Palafox, Lalit Singh Mittal et al. · Journal of Raman Spectroscopy · 2007 · 90 citations

Engineering, Computational Chemistry, Chemistry +18