Showing papers by "Zhen Hua Li published in 1997"

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A theoretical study on the isomerization of cyclopropane to propene with ab initio and DFT methods

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Kangnian Fan¹, Zhen Hua Li¹, Wenning Wang¹, Hsing Hua Huang², Wei Huang² - Show less +1 more•Institutions (2)

Fudan University¹, National University of Singapore²

03 Oct 1997-Chemical Physics Letters

TL;DR: In this article, single point energy calculations at UMP4, UCCSD(T), UQCISD(T) and UBecke3LYP levels were carried out on the UMP2/6-31G∗∗ fully optimized structures.

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18 citations