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

ZHANG Xing-chu; HU Yi-hua; WU Hua; LIN Jia-yong; CHEN Ren

English Version Journal Login

您当前的位置：

首页 >

文章列表页 >

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

更新时间：2026-05-27

- Frequency Analysis of Complexes M-Thymine (M= Ca+,Ca2+,Mg+and Mg2+)
- Vol. 23, Issue 3, Pages: 1-7(2006)
- 作者机构：
- 作者简介：
- 基金信息：
- DOI：
  CLC：
- Online First：02 June 2006，
  
  Published：2006
- 稿件说明：
移动端阅览
张兴初, 胡义华, 武华, 林家勇, 陈仁. 胸腺嘧啶与碱土金属离子形成复合物的振动分析[J]. 广东工业大学学报, 2006, 23(3): 1-7.

ZHANG Xing-chu, HU Yi-hua, WU Hua, et al. Frequency Analysis of Complexes M-Thymine (M= Ca+,Ca2+,Mg+and Mg2+)[J]. 2006, 23(3): 1-7.
张兴初, 胡义华, 武华, 林家勇, 陈仁. 胸腺嘧啶与碱土金属离子形成复合物的振动分析[J]. 广东工业大学学报, 2006, 23(3): 1-7. DOI：

ZHANG Xing-chu, HU Yi-hua, WU Hua, et al. Frequency Analysis of Complexes M-Thymine (M= Ca+,Ca2+,Mg+and Mg2+)[J]. 2006, 23(3): 1-7. DOI：

摘要

采用密度泛函方法的B3LYP泛函

在6-311+G(2df

2p)基组水平上计算了胸腺嘧啶与碱土金属离子形成稳定复合物的振动情况.发现当离子与胸腺嘧啶分子的各互变异构体形成复合物时

分子内部振动会发生改变

这主要是由于离子参与分子的振动

改变了振动质量因素和力常数.

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.

关键词

Keywords

references

Views

下载量

CSCD

Alert me when the article has been cited

提交

Tools

Publicity Resources

The Structure Parameter Identification of Flexible Floating Lapping Machines

Theoretical Study of the stable Structure and Charge Population of Ca~+-Thymine Complex

Ground Deformation Monitoring and Influencing Factors Analysis in Fuzhou City Based on PSI Technology

A Study of Power Quality Regulation Strategies of Energy Storage Converters

Research on Foreign Object Detection in Power Transmission Lines Based on the AAGV-YOLOX Model

Related Author

Huang Zhi-jian

Fu Hui-nan

Bu Yan-shan

ZHANG Xing-chu

HU Yi-hua

WU Huai-xuan

WU Hua

Related Institution

No data

AI问答

⁰