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提供: ComplexRI: Manual
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(ページの作成:「 ==Manual== {|class="wikitable" ! Input of ComplexRI |- |Information of ATR-IR experiment |- |Input#Control parameters of Co…」)
 
 
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== 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|Tutorial01：Fitting C=O stretching region of dimethyl carbonate]]
: [[Tutorial02|Tutorial02：Fitting C-C-O asymmetric stretching region of ethanol]]
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==Manual==
==Manual==


{|class="wikitable"
A detailed explanation of the input and output of ComplexRI can be found here.
! Input of ComplexRI
|-
|[[Input#Information of ATR-IR experiment|Information of ATR-IR experiment]]
|-
|[[Input#Control parameters of ComplexRI fitting|Control parameters of ComplexRI fitting]]
|}


{|class="wikitable"
: [[Input|Input of ComplexRI]]
! Output of ComplexRI
: [[Output|Output of ComplexRI]]
|-
|[[Output#Stardard output of ComplexRI|Stardard output of ComplexRI]]
|-
|[[Output#Download your results|Download your results]]
|}


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== Tutorial ==
{|class="wikitable"
! Examples to use ComplexRI
|-
| Tutorial01：[[Tutorial01| Automatic Mode]]
|-
| Tutorial02： [[Tutorial02|Manual Mode]]
|}


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==Theory==
==Theory==


{|class="wikitable"
A detailed description of the theory in the fitting procedure of ComplexRI can be found here.
|-
 
|[[Theory#ATR-IR data|Calculated reflectance of ATR-IR from complex refractive index]]
: [[Theory#ATR-IR data|1. Calculated reflectance of ATR-IR from complex refractive index]]
|-
: [[Theory#Fitting procedure|2. How to Fit the ATR-IR spectra]]
|[[Theory#Fitting procedure| How to Fit the ATR-IR spectra]]
: [[Theory#Auto Fitting|3. Automatically determine the initial parameters in fitting procedure]]
|-
|[[Theory#Auto Fitting|Automatically determine the initial parameters in fitting procedure]]
|}


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[http://comp.chem.tohoku.ac.jp/mediawiki/index.php/en/ComplexRI Top of this page]
[http://comp.chem.tohoku.ac.jp/mediawiki/index.php/ComplexRI_Manual Top of this page]
[https://comp.chem.tohoku.ac.jp/ComplexRI/ Back to the Main Package]

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

Top of this page Back to the Main Package

「http://comp.chem.tohoku.ac.jp/mediawiki/index.php?title=ComplexRI_Manual&oldid=1022」から取得