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Quantum chemical investigation of thalidomide molecule

2005-04-14
Erkoç, Şakir
Erkoc, F
The structural and electronic properties of the thalidomide molecule have been investigated theoretically by performing semi-empirical molecular orbital (AM1) and density functional theory calculations. The geometry of the molecule has been optimized by AM1 method and the electronic properties of the molecule have been calculated by density functional theory in its ground state.