Determination of the optical constants of ethene-1,1,2,2-tetrayltetram ethylene tetrahiocyanate by Hartree-Fock and density functional method (B3LYP)

被引：0

作者：

Basoglu, Adil ^{[1
]}

Avci, Davult ^{[1
]}

Atalay, Yusuf ^{[1
]}

机构：

[1] Sakarya Univ, Sci & Art Fac, Dept Phys, Sakarya, Turkey

来源：

SIX INTERNATIONAL CONFERENCE OF THE BALKAN PHYSICAL UNION | 2007年 / 899卷

关键词：

optical constants; IR spectra; I-IF; DFT;

D O I：

暂无

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Determination of optical constants of ethene-1,1,2,2,-tetrayltetramethylene tetrahiocyanate has been investigated by transmittance and reflectance spectra between 400 and 4000 cm(-1). The theoretical optical constants (refractive index, extinction coefficient and dielectric constant) of title compound were calculated using the Hartree-Fock and density functional method (B3LYP) and are reported for the first time.

引用

页码：677 / 677

页数：1

共 22 条

[21] Theoretical study of stereoselectivity of the [1 + 2] cycloaddition reaction between (1S,3R,8S)-2,2-dichloro-3,7,7,10-tetramethyltricyclo[6,4,0,01.3]dodec-9-ene and dibromocarbene using density functional theory (DFT) B3LYP/6-31G*(d)
Abdellah Zeroual
Ahmed Benharref
Abdeslam El Hajbi
Journal of Molecular Modeling, 2015, 21
[22] Theoretical study of stereoselectivity of the [1+2] cycloaddition reaction between (1S,3R,8S)-2,2-dichloro-3,7,7,10-tetramethyltricyclo[6,4,0,01.3]dodec-9-ene and dibromocarbene using density functional theory (DFT) B3LYP/6-31G*(d)
Zeroual, Abdellah
Benharref, Ahmed
El Hajbi, Abdeslam
JOURNAL OF MOLECULAR MODELING, 2015, 21 (03)

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