Electronic structure simulations of 2,6-dimethyl-2,5-heptadien-4-one by FTIR, FT-Raman, NMR, UV–vis, NBO and density functional theory

Author： Arjunan V.   Jayaprakash A.   Santhanam R.   Marchewka M. K.   Mohan S.  

Publisher： Taylor & Francis Ltd

ISSN： 0892-7022

Source： Molecular Simulation, Vol.39, Iss.3, 2013-03, pp. : 185-198

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