"Free energy profiles for monomer capture in Grubbs- and SHOP-type olefin ..."

Sheng-Yong Yang et al. (2007)

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DOI: 10.1002/JCC.20572

access: closed

type: Journal Article

metadata version: 2021-10-14

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Sheng-Yong Yang, Ming-Li Xiang, Li-Juan Chen, Guo-Bin Xie, Bing Shi, Yu-Quan Wei, Tom Ziegler:
Free energy profiles for monomer capture in Grubbs- and SHOP-type olefin polymerization catalysts: A constraint ab initio molecular dynamics study. J. Comput. Chem. 28(2): 513-518 (2007)

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