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Quantum chemical investigation of thalidomide molecule
Date
2005-04-14
Author
Erkoç, Şakir
Erkoc, F
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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.
Subject Keywords
Physical and Theoretical Chemistry
,
Biochemistry
,
Condensed Matter Physics
URI
https://hdl.handle.net/11511/56342
Journal
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
DOI
https://doi.org/10.1016/j.theochem.2004.11.039
Collections
Department of Physics, Article
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Ş. Erkoç and F. Erkoc, “Quantum chemical investigation of thalidomide molecule,”
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
, pp. 1–5, 2005, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/56342.