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Theoretical Studies of the Glycoluril Molecular Clips Using Quantum Calculations
Corresponding Author(s) : E. Vessally
vessally@yahoo.com
Asian Journal of Chemistry,
Vol. 25 No. 13 (2013): Vol 25 Issue 13
Abstract
Theoretical calculations were performed to determine the structure of a simple glycoluril (1) and its derivative (2). Full geometry optimizations were carried out by MP2 method using 6-311++G** basis set of the GAUSSIAN 98 program. The geometrical parameters including bond lengths (R) and bond angles (A) were estimated at the same level.
Keywords
Glycoluril
Quantum calculations
Molecular clip
Gharakhani, F., Vessally, E., Mohammadi, A., & Alimadadi, Z. (2013). Theoretical Studies of the Glycoluril Molecular Clips Using Quantum Calculations. Asian Journal of Chemistry, 25(13), 7635–7636. https://doi.org/10.14233/ajchem.2013.14473
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