Journal of Guangdong University of Technology ›› 2006, Vol. 23 ›› Issue (3): 1-7.

• Comprehensive Studies •     Next Articles

Frequency Analysis of Complexes M-Thymine (M= Ca+,Ca2+,Mg+and Mg2+)

  

  1. (1.Faculty of Physics and Optoelectronic Engineering,Guangdong University of Technology,Guangzhou 510090,China;2.Department of Electromechanical Engineering,College of Science and Trade,Guangzhou University,Guangzhou 511442,China)
  • Online:2006-06-02 Published:2006-06-02

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Abstract: Density function theory is employed to determine frequencies character of the complexes of M-Thymine(M=Ca+,Ca2+,Mg+and Mg2+) at B3LYP/6-311+G（2df,2p） level.The frequencies are changed obviously when tautomers act with the cations.It is mainly because cations take part in molecule’s vibrations and change the force constants and effective mass.

Key words: density function theory； vibration； thymine；

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