DFT (LSDA, B3LYP and B3PW91) comparative vibrational spectroscopic analysis of alpha-acetonaphthone.
Govindarajan
M
M
Department of Physics, Avvaiyar Govt College Women, Karaikal 609602, India. govindarajan64@gmail.com
Ganasan
K
K
Periandy
S
S
Mohan
S
S
D003198:Computer Simulation; D008958:Models, Molecular; D009281:Naphthalenes / Q000737:chemistry*; D011789:Quantum Theory; D013057:Spectrum Analysis / Q000379:methods*; D014732:Vibration
D009281:Naphthalenes