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Solid-State Density Functional Theory Investigation of the Terahertz Spectra of the Structural Isomers 1,2-Dicyanobenzene and 1,3-Dicyanobenzene

机译：固态密度泛函理论研究结构异构体1,2-二氰基苯和1,3-二氰基苯的太赫兹光谱

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Timothy M. Korter; Joseph S. Melinger; Daniel Grischkowsky;
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年度 2010
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1. Solid-state density functional theory investigation of the terahertz spectra of the structural isomers 1,2-dicyanobenzene and 1,3-dicyanobenzene [J] . Oppenheim K.C., Korter T.M., Melinger J.S., The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2010,第47期

机译：固态密度泛函理论研究结构异构体1,2-二氰基苯和1,3-二氰基苯的太赫兹光谱
2. Lowest excited triplet states of 1,2-and 1,4-dicyanobenzenes by low-temperature matrix-isolation infrared spectroscopy and density-functional-theory calculation [J] . Akai N., Kudoh S., Nakata M. Chemical Physics Letters . 2003,第5a6期

机译：低温基质隔离红外光谱法和密度泛函理论计算得出1,2-和1,4-二氰基苯的最低激发三重态
3. Density functional theory study of vibrational spectra: 9. Structures and vibrational assignments of dicyanobenzenes [J] . James Higgins, Xuefeng Zhou, Ruifeng Liu Spectrochimica acta, Part A. Molecular and biomolecular spectroscopy . 1997,第5期

机译：振动光谱的密度泛函理论研究：9.二氰基苯的结构和振动归属
4. Structure Analysis of Disorder in a Molecular Crystal with Terahertz Spectroscopy and Solid-state Density Functional Theory [C] . Feng Zhang, Houng-Wei Wang, Keisuke Tominaza, International Conference on Infrared, Millimeter, and Terahertz Waves . 2018

机译：太赫兹光谱和固态密度泛函理论分析分子晶体中的无序结构
5. Solid-state density functional theory analyses of high-resolution waveguide terahertz spectra. [D] . Oppenheim, Keith C. 2010

机译：高分辨率波导太赫兹光谱的固态密度泛函理论分析。
6. Cellulose Structural Polymorphism in Plant Primary Cell Walls Investigated by High-Field 2D Solid-State NMR Spectroscopy and Density Functional Theory Calculations [O] . Tuo Wang, Hui Yang, James D. Kubicki, -1

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7. Effects of Solvent Stabilization on Pharmaceutical Crystallization: Investigating Conformational Polymorphism of Probucol Using Combined Solid-State Density Functional Theory, Molecular Dynamics, and Terahertz Spectroscopy [O] . -1

机译：溶剂稳定性对药物结晶的影响：使用组合固态密度函数理论，分子动力学和太赫兹光谱研究丙酸的构象多态性

Solid-State Density Functional Theory Investigation of the Terahertz Spectra of the Structural Isomers 1,2-Dicyanobenzene and 1,3-Dicyanobenzene

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