Standardising Electric-Field-Resolved Molecular Fingerprints

Marinus Huber, M. Trubetskov, W. Schweinberger, P. Jacob, M. Žigman, F. Krausz, I. Pupeza
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Abstract

Infrared (IR) vibrational spectroscopy is a popular tool for a wide range of applications due to its ability to obtain label-free chemical information from virtually any sample [1], [2]. An important aspect for its widespread use is that IR spectra, when carefully measured and processed, are largely instrument-independent, and thus comparable. This has enabled the assembly of databases containing numerous spectra of chemicals, which are being used, e.g., to identify and quantify unknown substances in samples via chemometric approaches.
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标准化电场分辨分子指纹
红外(IR)振动光谱是一种广泛应用的流行工具,因为它能够从几乎任何样品中获得无标签的化学信息[1],[2]。红外光谱广泛使用的一个重要方面是,经过仔细测量和处理,红外光谱在很大程度上与仪器无关,因此具有可比性。这使得包含许多化学光谱的数据库能够组装起来,例如,通过化学计量方法来识别和量化样品中的未知物质。
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