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The present approach can be applied to other water clusters and also to the low-lying vibrationally excited states and should help in the interpretation and assignment of experimental spectra in the future.2-Chloroethyl ethyl sulfide (CEES) is a simulant for the chemical warfare agent, bis(2-chloroethyl) sulfide, also known as mustard gas. Here, we demonstrate a facile and rapid method to synthesize a functionalized metal-organic framework (MOF) material for the detection of CEES at trace level. During the synthesis of Zr-BTC, the in si
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