Annamalai Subashini

Synthesis, X-ray crystal structure, vibrational spectroscopy, DFT calculations, electronic properties and Hirshfeld analysis of (E) -4-Bromo- N '-(2,4-dihydroxy-benzylidene) benzohydrazide

C. Arunagiri, A.G. Anitha, Annamalai Subashini et al. · Journal of Molecular Structure · 2018 · 60 citations

Materials Science, Engineering, Hirshfeld Analysis +7

Vibrational spectra (experimental and theoretical), molecular structure, natural bond orbital, HOMO–LUMO energy, Mulliken charge and thermodynamic analysis of N′-hydroxy-pyrimidine-2-carboximidamide by DFT approach

N.J. Jasmine, P.T. Muthiah, C. Arunagiri et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2015 · 49 citations

Molecular Spectroscopy, Vibrational Spectra, Engineering +10

A new chalcone structure of (E)-1-(4-Bromophenyl)-3-(napthalen-2-yl)prop-2-en-1-one: Synthesis, structural characterizations, quantum chemical investigations and biological evaluations

Kaliyaperumal Thanigaimani, Suhana Arshad, Nuridayanti Che Khalib et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2015 · 42 citations

Structural Characterizations, Biochemistry, Natural Sciences +7

Vibrational spectroscopic (FT-IR and FT-Raman), first-order hyperpolarizablity, HOMO, LUMO, NBO, Mulliken charges and structure determination of 2-bromo-4-chlorotoluene

C. Arunagiri, M. Arivazhagan, Annamalai Subashini · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2011 · 27 citations

Physics, Mulliken Charges, Natural Sciences +8

Synthesis, crystal structure and theoretical studies of a Schiff base 2-[4-hydroxy benzylidene]-amino naphthalene

C. Arunagiri, Annamalai Subashini, M. Saranya et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2014 · 26 citations

Crystal Structure, Engineering, Heterocyclic +6