700 Journals and 15,000,000 Readers Each Journal is getting 25,000+ ReadersThis Readership is 10 times more when compared to other Subscription Journals (Source: Google Analytics)
Research Article Open Access
The structural, Vibrational and Raman frequencies of 5,7-Dihydroxy-3-(4-hydroxyphenyl)chromen-4-one (genistein)has been studied in different solvents(toluene, ethanol, and water)using by ab initio Hartree–Fock(HF) and at the Becke-3-Lee-Yang-Parr (B3LYP) density functional theory (DFT) PCM method at the 6-311G basis set. The influence of these solvents on the optimized geometry, frequency, Mullican charge distribution scheme and were studied. The thermodynamic functions of the titled compound have been computed at HF/6-311G and B3LYP/6- 311G levels of theory.
To read the full article Peer-reviewed Article PDF
Author(s): N Surendra Babu and Teshome Abute Lelisho
genistein, HF, DFT, vibrational and Raman frequencies, Mullikan charge, thermodynamic properties., Mullikan charge