Structural and electronic properties of MTA

2001-06-15
Erkoç, Şakir
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The structural and electronic properties of mellitic trianhydride (MTA) have been investigated by performing semiempirical (AM1, PM3, MNDO3) and ab initio molecular orbital self-consistent field calculations. The density of states and the IR spectrum of MTA have been calculated. It has been found that the isolated MTA molecule has a planar structure, and that it is exothermic.
MTA molecule, Semiempirical molecular orbital methods, Ab initio calculation
https://hdl.handle.net/11511/56458
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
Department of Physics, Article

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Citation Formats
Ş. Erkoç, “Structural and electronic properties of MTA,” JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, pp. 95–99, 2001, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/56458.
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