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提供: ComplexRI: Manual
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==Manual==
==Manual==
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==Theory==
==Theory==
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[http://comp.chem.tohoku.ac.jp/mediawiki/index.php/ComplexRI_Manual Top of this page]
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2022年2月27日 (日) 01:13時点における最新版

Tutorial

We prepared two examples to help users get familiar with ComplexRI. Users are recommended to follow this tutorial when using ComplexRI for the first time.

Tutorial01:Fitting C=O stretching region of dimethyl carbonate
Tutorial02:Fitting C-C-O asymmetric stretching region of ethanol


Manual

A detailed explanation of the input and output of ComplexRI can be found here.

Input of ComplexRI
Output of ComplexRI


Theory

A detailed description of the theory in the fitting procedure of ComplexRI can be found here.

1. Calculated reflectance of ATR-IR from complex refractive index
2. How to Fit the ATR-IR spectra
3. Automatically determine the initial parameters in fitting procedure

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