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Assessment of Franck-Condon methods for computing vibrationally broadened UV-vis absorption spectra of flavin derivatives : Riboflavin, Roseoflavin, and 5-Thioflavin

机译：评估用于计算黄素衍生物（核黄素，玫瑰黄素和5-硫黄素）的振动加宽紫外可见吸收光谱的Franck-Condon方法

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Karasulu Bora; Guf6tze Jan Philipp; Thiel Walter;
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年度 2014
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1. Assessment of Franck-Condon Methods for Computing Vibrationally Broadened UV-vis Absorption Spectra of Flavin Derivatives: Riboflavin, Roseoflavin, and 5-Thioflavin [J] . Karasulu Bora, Goetze Jan Philipp, Thiel Walter Journal of chemical theory and computation: JCTC . 2014,第12期

机译：Franck-Condon方法的评估，用于计算黄素衍生物（核黄素，玫瑰黄素和5-硫黄素）的振动加宽的紫外可见吸收光谱
2. Derivative UV-vis absorption spectra as an invigorated spectrophotometric method for spectral resolution and quantitative analysis: Theoretical aspects and analytical applications: A review [J] . Parmar Ankush, Sharma Shweta TrAC: Trends in Analytical Chemistry . 2016,第Null期

机译：衍生的紫外可见吸收光谱作为用于光谱分辨率和定量分析的有力分光光度法：理论方面和分析应用：综述
3. Vibrational spectral investigation, NBO, first hyperpolarizability and UV-Vis spectral analysis of 3,5-dichlorobenzonitrile and m-bromobenzonitrile by ab initio and density functional theory methods [J] . Kumar J. Senthil, Jeyavijayan S., Arivazhagan M. Spectrochimica acta, Part A. Molecular and biomolecular spectroscopy . 2015,第Pta2期

机译：通过从头算和密度泛函理论方法对3,5-二氯苄腈和间溴苄腈进行振动光谱研究，NBO，首次超极化和紫外可见光谱分析
4. Calculations of inter- and intramolecular vibrations of a perylene derivative to interpret observed absorption spectra of the crystal [C] . Osuga Toshiaki, Izutani Yusuke, Itoh Akira, 36th International Conference on Infrared, Millimeter, and Terahertz Waves . 2011

机译：计算a衍生物的分子间和分子内振动以解释晶体的吸收光谱
5. Computing Rovibrational Spectra of Small Polyatomic Molecules with Variational and Collocation Methods [D] . Simmons, Jesse. 2019

机译：用变分和搭配方法计算小型多原子分子的振动光谱
6. A-VCI: A flexible method to efficiently compute vibrational spectra [O] . Marc Odunlami, Vincent Le Bris, Didier Bégué, -1

机译：A-VCI：一种有效地计算振动频谱的灵活方法
7. Assessment of Franck–Condon Methods for Computing Vibrationally Broadened UV–vis Absorption Spectra of Flavin Derivatives: Riboflavin, Roseoflavin, and 5-Thioflavin [O] . Karasulu B., Götze J., Thiel W. 2014

机译：用于计算黄素衍生物的振动扩展紫外 - 可见吸收光谱的Franck-Condon方法的评估：核黄素，玫瑰黄素和5-硫黄素

Assessment of Franck-Condon methods for computing vibrationally broadened UV-vis absorption spectra of flavin derivatives : Riboflavin, Roseoflavin, and 5-Thioflavin

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