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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Electronic structure of H2CS3 and H2CS4: an experimental and theoretical study

Yimin Li1, Xiaoqing Zeng, Qiao Sun

  • 1Department of Chemistry, Shaoxing University, Shaoxing, Zhejiang 312000, PR China. liymj@mail.sxptt.zj.cn

Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|August 22, 2006
PubMed

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