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Article: Researchers from University of Zabol, Chemistry Department publish new studies and findings in the area of life sciences.
- Article from:
- Science Letter
- Article date:
- June 2, 2009
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Scientists discuss in 'Theoretical investigation of tautomerism in N-hydroxy amidines' new findings in life sciences. According to a study from Iran, "A DFT study with QST3 approach method is used to calculate kinetic, thermodynamic, spectral and structural data of tautomers and transition state structures of some N-hydroxy amidines. All tautomers and transition states are optimized at the B3LYP/6-311++g* and B3LYP/aug-cc-pvtz level, with good agreement in energetic result with energies obtained from CBS-QB3, a complete basis set composite energy method."
"The result shows that the tautomer a (amide oxime) is more stable than the tautomer b (imino hydroxylamine) ...
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Article: New life sciences research from Institute of ...
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... ... characteristics. Journal of Molecular Modeling, 2009;15(8):935 ... information for the Journal of Molecular Modeling is: Springer, 233 Spring ... Keywords: Poland, Krakow, Life Sciences, Molecular Modeling. This article was prepared ...
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