En/ComplexRI - 版の履歴

2022年2月14日 (月) 01:54にLwangによる

2022-02-14T01:54:09Z

← 古い版		2022年2月14日 (月) 01:54時点における版
1行目:		1行目:
	~~__NOTOC__~~

	==Manual==		==Manual==

2022年2月14日 (月) 01:53にLwangによる

2022-02-14T01:53:52Z

← 古い版		2022年2月14日 (月) 01:53時点における版
1行目:		1行目:
	__NOTOC__		__NOTOC__

	~~{\|class="wikitable"~~
	~~! Index~~
	\|-
	~~\|[[#Tutorial\|Tutorial]]~~
	\|-
	~~\|[[#Manual\|Manual]]~~
	\|-
	~~\|[[#Theory\|Theory]]~~
	\|}

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

	~~----~~

	==Manual==		==Manual==
38行目:		17行目:
	\|-		\|-
	\|[[Output#Download your results\|Download your results]]		\|[[Output#Download your results\|Download your results]]
			\|}

			----

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

2022年2月14日 (月) 01:51にLwangによる

2022-02-14T01:51:40Z

← 古い版		2022年2月14日 (月) 01:51時点における版
9行目:		9行目:
	\|-		\|-
	\|[[#Theory\|Theory]]		\|[[#Theory\|Theory]]
	\|-
	~~\|[[#FAQ\|FAQ]]~~
	\|}		\|}

2022年2月14日 (月) 01:50にLwangによる

2022-02-14T01:50:31Z

← 古い版		2022年2月14日 (月) 01:50時点における版
1行目:		1行目:
	__NOTOC__		__NOTOC__

	~~<span style="font-size: 100%; color:red;">※Chrome browser is recommend to read this page. </span>~~

	{\|class="wikitable"		{\|class="wikitable"
	! Index		! Index
	\|-
	~~\|[[#Overview\|Overview]]~~
	\|-
	~~\|[[#Developing History\|Developing History]]~~
	\|-		\|-
	\|[[#Tutorial\|Tutorial]]		\|[[#Tutorial\|Tutorial]]
18行目:		12行目:
	\|[[#FAQ\|FAQ]]		\|[[#FAQ\|FAQ]]
	\|}		\|}

	~~== Overview ==~~
	The complex refractive index is a basic property in the study of light-matter interactions and spectroscopy. Especially in the sum frequency generation (SFG) vibrational spectroscopy studies, the analysis of SFG spectra requires detailed information of the Fresnel factors in the typical three-layer interface model. Studies <ref name = "ref1" /> have shown that the dispersion of the Fresnel factor may become significant and seriously change the analysis results of SFG spectra. The dispersion of Fresnel factors in SFG spectra originates from the complex refractive index of the liquid. However, the complex refractive index in the Infrared region is somehow unavailable for most commonly used liquids in SFG studies. Therefore, we have developed ComplexRI software package to obtain the complex refractive index of any liquids by using the ATR-IR spectra. The output of ComplexRI is the complex refractive index in IR region. Users can specify the target vibrational regions.

	~~==Developing History==~~
	~~The development of ComplexRI was done by Lin Wang, Ryo Murata, Teppei Kamimura, Akihiro Morita in the lab of computational molecular science at Tohoku University.~~

	The main code was first developed by Wang in 2019 when he investigated the dispersion of Fresnel factor in electrode/electrolyte interfaces. <ref name = "ref1" /> In 2020, Murata and Wang further extended the code and generated a complex refractive index database with about 20 commonly used liquids in SFG studies. <ref name = "ref2" /> Wang used the database and discussed the general influence of dispersion of Fresnel factor in the SFG spectra analysis. <ref name = "ref3" />. In 2021, the program code was summarized and opened to the website by Kamimura under the supervise of Wang and Morita. The automatic fitting procedure is updated. Kamimura and Wang also created the MediaWiki manual page for ComplexRI.

	~~Many thanks to the experimental collaborators during the development.~~
	~~: Dr. Satoshi Nihonyanagi (RIKEN), Dr. Ken-ichi Inoue (Tohoku Univ.), Prof. Shen Ye (Tohoku Univ.), Dr. Tahei Tahara (RIKEN).~~


	== Tutorial ==		== Tutorial ==
74行目:		56行目:

	----		----

	~~==FAQ==~~

	~~<div style="font-size: 150%;"> 1. How to cite ComplexRI </div>~~

	~~: If ComplexRI is helpful, please cite the following references.~~

	~~<references>~~
	~~<ref name = "ref1">"Effect of Frequency-Dependent Fresnel Factor on the Vibrational Sum Frequency Generation Spectra for Liquid/Solid Interfaces"~~
	~~Lin Wang, Satoshi Nihonyanagi, Ken-ichi Inoue, Kei Nishikawa, Akihiro Morita, Shen Ye, Tahei Tahara, J. Phys. Chem. C, 123(25) 15665-15673 (2019).</ref>~~
	~~<ref name = "ref2">"Dispersion of Complex Refractive Indices for Intense Vibrational Bands. I Quantitative Spectra"~~
	~~Ryo Murata, Ken-ichi Inoue, Lin Wang, Shen Ye, and Akihiro Morita, J. Phys. Chem. B, 125(34), 9794-9803 (2021).</ref>~~
	~~<ref name = "ref3">"Dispersion of Complex Refractive Indices for Intense Vibrational Bands. II Implication to Sum Frequency Generation Spectroscopy"~~
	~~Lin Wang, Ryo Murata, Ken-ichi Inoue, Shen Ye, and Akihiro Morita, J. Phys. Chem. B, 125(34), 9804-9810 (2021).</ref>~~

	~~</references>~~

	[http://comp.chem.tohoku.ac.jp/mediawiki/index.php/en/ComplexRI Top of this page]		[http://comp.chem.tohoku.ac.jp/mediawiki/index.php/en/ComplexRI Top of this page]

2022年1月25日 (火) 01:54にLwangによる

2022-01-25T01:54:52Z

← 古い版		2022年1月25日 (火) 01:54時点における版
20行目:		20行目:

	== Overview ==		== Overview ==
	The complex refractive index is a basic property in the study of light-matter interactions and spectroscopy. Especially in the sum frequency generation (SFG) vibrational spectroscopy studies, the analysis of SFG spectra requires detailed information of the Fresnel factors in the typical three-layer interface model~~. The dispersion of Fresnel factors in SFG spectra originates from the complex refractive index of the liquid~~. Studies <ref name = "ref1" /> have shown that the dispersion of the Fresnel factor may become significant and seriously change the analysis results of SFG spectra. However, the complex refractive index in the Infrared region is somehow unavailable for most commonly used liquids in SFG studies. Therefore, we have developed ComplexRI software package to obtain the complex refractive index of any liquids by using the ATR-IR spectra. The output of ComplexRI is the complex refractive index in IR region. Users can specify the target vibrational regions.		The complex refractive index is a basic property in the study of light-matter interactions and spectroscopy. Especially in the sum frequency generation (SFG) vibrational spectroscopy studies, the analysis of SFG spectra requires detailed information of the Fresnel factors in the typical three-layer interface model. Studies <ref name = "ref1" /> have shown that the dispersion of the Fresnel factor may become significant and seriously change the analysis results of SFG spectra. The dispersion of Fresnel factors in SFG spectra originates from the complex refractive index of the liquid. However, the complex refractive index in the Infrared region is somehow unavailable for most commonly used liquids in SFG studies. Therefore, we have developed ComplexRI software package to obtain the complex refractive index of any liquids by using the ATR-IR spectra. The output of ComplexRI is the complex refractive index in IR region. Users can specify the target vibrational regions.

	==Developing History==		==Developing History==

2022年1月25日 (火) 01:53にLwangによる

2022-01-25T01:53:56Z

← 古い版		2022年1月25日 (火) 01:53時点における版
20行目:		20行目:

	== Overview ==		== Overview ==
	The complex refractive index is a basic property in the study of light-matter interactions and spectroscopy. Especially in the sum frequency generation (SFG) vibrational spectroscopy studies, the analysis of SFG spectra requires detailed information of the Fresnel factors in the typical three-layer interface model. The dispersion of Fresnel factors in SFG spectra originates from the complex refractive index of the liquid~~. However, the complex refractive index in the Infrared region is somehow unavailable for most commonly used liquids in SFG studies~~. Studies <ref name = "ref1" /> have shown that the dispersion of the Fresnel factor may become significant and seriously change the analysis results of SFG spectra. Therefore, we have developed ComplexRI software package to obtain the complex refractive index of any liquids by using the ATR-IR spectra. The output of ComplexRI is the complex refractive index in IR region. Users can specify the target vibrational regions.		The complex refractive index is a basic property in the study of light-matter interactions and spectroscopy. Especially in the sum frequency generation (SFG) vibrational spectroscopy studies, the analysis of SFG spectra requires detailed information of the Fresnel factors in the typical three-layer interface model. The dispersion of Fresnel factors in SFG spectra originates from the complex refractive index of the liquid. Studies <ref name = "ref1" /> have shown that the dispersion of the Fresnel factor may become significant and seriously change the analysis results of SFG spectra. However, the complex refractive index in the Infrared region is somehow unavailable for most commonly used liquids in SFG studies. Therefore, we have developed ComplexRI software package to obtain the complex refractive index of any liquids by using the ATR-IR spectra. The output of ComplexRI is the complex refractive index in IR region. Users can specify the target vibrational regions.

	==Developing History==		==Developing History==

2022年1月25日 (火) 01:51にLwangによる

2022-01-25T01:51:29Z

← 古い版		2022年1月25日 (火) 01:51時点における版
20行目:		20行目:

	== Overview ==		== Overview ==
	The complex refractive index is a basic property in the study of light-matter interactions and spectroscopy. Especially in the sum frequency generation (SFG) vibrational spectroscopy studies, the analysis of SFG spectra requires detailed information of the Fresnel factors in the typical three-layer interface model. The dispersion of Fresnel factors in SFG spectra originates from the complex refractive index of the liquid. Studies <ref name = "ref1" /> have shown that the dispersion of the Fresnel factor may become significant and seriously change the analysis results of SFG spectra~~. However, the complex refractive index in the Infrared region is somehow unavailable for most commonly used liquids in SFG studies~~. Therefore, we have developed ComplexRI software package to obtain the complex refractive index of any liquids by using the ATR-IR spectra. The output of ComplexRI is the complex refractive index in IR region. Users can specify the target vibrational regions.		The complex refractive index is a basic property in the study of light-matter interactions and spectroscopy. Especially in the sum frequency generation (SFG) vibrational spectroscopy studies, the analysis of SFG spectra requires detailed information of the Fresnel factors in the typical three-layer interface model. The dispersion of Fresnel factors in SFG spectra originates from the complex refractive index of the liquid. However, the complex refractive index in the Infrared region is somehow unavailable for most commonly used liquids in SFG studies. Studies <ref name = "ref1" /> have shown that the dispersion of the Fresnel factor may become significant and seriously change the analysis results of SFG spectra. Therefore, we have developed ComplexRI software package to obtain the complex refractive index of any liquids by using the ATR-IR spectra. The output of ComplexRI is the complex refractive index in IR region. Users can specify the target vibrational regions.

	==Developing History==		==Developing History==

2022年1月24日 (月) 09:12にLwangによる

2022-01-24T09:12:19Z

← 古い版		2022年1月24日 (月) 09:12時点における版
23行目:		23行目:

	==Developing History==		==Developing History==
	The development of ComplexRI was done in the lab of computational molecular science at Tohoku University.		The development of ComplexRI was done by Lin Wang, Ryo Murata, Teppei Kamimura, Akihiro Morita in the lab of computational molecular science at Tohoku University.

	The main code was first developed by Wang in 2019 when he investigated the dispersion of Fresnel factor in electrode/electrolyte interfaces. <ref name = "ref1" /> In 2020, Murata and Wang further extended the code and generated a complex refractive index database with about 20 commonly used liquids in SFG studies. <ref name = "ref2" /> Wang used the database and discussed the general influence of dispersion of Fresnel factor in the SFG spectra analysis. <ref name = "ref3" />. In 2021, the program code was summarized and opened to the website by Kamimura under the supervise of Wang and Morita. The automatic fitting procedure is updated. Kamimura and Wang also created the MediaWiki manual page for ComplexRI.		The main code was first developed by Wang in 2019 when he investigated the dispersion of Fresnel factor in electrode/electrolyte interfaces. <ref name = "ref1" /> In 2020, Murata and Wang further extended the code and generated a complex refractive index database with about 20 commonly used liquids in SFG studies. <ref name = "ref2" /> Wang used the database and discussed the general influence of dispersion of Fresnel factor in the SFG spectra analysis. <ref name = "ref3" />. In 2021, the program code was summarized and opened to the website by Kamimura under the supervise of Wang and Morita. The automatic fitting procedure is updated. Kamimura and Wang also created the MediaWiki manual page for ComplexRI.

2022年1月24日 (月) 09:04にLwangによる

2022-01-24T09:04:13Z

← 古い版		2022年1月24日 (月) 09:04時点における版
79行目:		79行目:
	<div style="font-size: 150%;"> 1. How to cite ComplexRI </div>		<div style="font-size: 150%;"> 1. How to cite ComplexRI </div>

	: If ~~you found~~ ComplexRI is helpful, please cite the following references.		: If ComplexRI is helpful, please cite the following references.

	<references>		<references>

2022年1月24日 (月) 08:54にLwangによる

2022-01-24T08:54:02Z

← 古い版		2022年1月24日 (月) 08:54時点における版
20行目:		20行目:

	== Overview ==		== Overview ==
	The complex refractive index is a basic property in the study of light-matter interactions and spectroscopy. Especially in the sum frequency generation (SFG) vibrational spectroscopy studies, the analysis of SFG spectra requires detailed information of the Fresnel factors in the typical three-layer interface model. The dispersion of Fresnel factors in SFG spectra originates from the complex refractive index of the liquid. Studies <ref name = "ref1" /> have shown that the dispersion of the Fresnel factor may become significant and seriously change the analysis results of SFG spectra. However, the complex refractive index in the Infrared region is somehow unavailable for most commonly used liquids in SFG studies. Therefore, we have developed ComplexRI software package to obtain the complex refractive index of any liquids by using the ATR-IR spectra. The output of ComplexRI is the complex refractive index in IR region. Users can specify the target vibrational regions~~, such as vibrational modes of different functional groups~~.		The complex refractive index is a basic property in the study of light-matter interactions and spectroscopy. Especially in the sum frequency generation (SFG) vibrational spectroscopy studies, the analysis of SFG spectra requires detailed information of the Fresnel factors in the typical three-layer interface model. The dispersion of Fresnel factors in SFG spectra originates from the complex refractive index of the liquid. Studies <ref name = "ref1" /> have shown that the dispersion of the Fresnel factor may become significant and seriously change the analysis results of SFG spectra. However, the complex refractive index in the Infrared region is somehow unavailable for most commonly used liquids in SFG studies. Therefore, we have developed ComplexRI software package to obtain the complex refractive index of any liquids by using the ATR-IR spectra. The output of ComplexRI is the complex refractive index in IR region. Users can specify the target vibrational regions.

	==Developing History==		==Developing History==