Quantum Mechanical Study of Stabilization of Germaneselones

Hsin-Yi Liao; Ming-Der Su; San-Yan Chu

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Quantum Mechanical Study of Stabilization of Germaneselones

机译：锗烯酮稳定化的量子力学研究

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Substituent effects on the potential energy surfaces of X_2Ge=Se (X = H, F, Cl, Br, and CH_3) were investigated by density functional theory and CCSD(T) methods. The theoretial findings suggest that both thermodynamic and kinetic stabilities of germaneselones are strongly dependent on the substituents, pointing to F_2Ge=Se as a good candidate for experimental detection.

机译：利用密度泛函理论和CCSD（T）方法研究了X_2Ge = Se（X = H，F，Cl，Br和CH_3）对势能表面的取代作用。理论发现表明，锗烯酮的热力学和动力学稳定性都高度依赖于取代基，表明F_2Ge = Se是实验检测的良好候选物。

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《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |2002年第11期|共3页
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Hsin-Yi Liao; Ming-Der Su; San-Yan Chu;
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正文语种 eng
中图分类物理化学（理论化学）、化学物理学;
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机译：锗烯酮稳定化的量子力学研究
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Quantum Mechanical Study of Stabilization of Germaneselones

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