M. Karabacak

Natural bond orbital analysis, electronic structure, non-linear properties and vibrational spectral analysis of l-histidinium bromide monohydrate: A density functional theory

D. Sajan, Lynnette Joseph, N. Vijayan et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2011 · 196 citations

Vibrational Spectral Analysis, Natural Sciences, Chemical Bond +7

Synthesis, molecular conformation, vibrational and electronic transition, isometric chemical shift, polarizability and hyperpolarizability analysis of 3-(4-Methoxy-phenyl)-2-(4-nitro-phenyl)-acrylonitrile: A combined experimental and theoretical analysis

Abdullah M. Asiri, M. Karabacak, Mustafa Kurt et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2011 · 158 citations

Materials Science, Molecular Conformation, Engineering +6

Molecular structure, vibrational, UV and NBO analysis of 4-chloro-7-nitrobenzofurazan by DFT calculations

Mustafa Kurt, P. Chinna Babu, N. Sundaraganesan et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2011 · 156 citations

Engineering, Heterocyclic, Spectra-structure Correlation +7

Spectroscopic properties, NLO, HOMO–LUMO and NBO analysis of 2,5-Lutidine

Marimuthu Govindarajan, M. Karabacak · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2012 · 133 citations

Molecular Spectroscopy, Natural Sciences, Spectroscopy +6

Spectroscopic (infrared, Raman, UV and NMR) analysis, Gaussian hybrid computational investigation (MEP maps/HOMO and LUMO) on cyclohexanone oxime

S. Ramalingam, M. Karabacak, S. Periandy et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2012 · 131 citations

Chemical Engineering, Engineering, Photochemistry +10