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Methodological Survey of Simplified TD-DFT Methods for Fast and Accurate Interpretation of UVVisNIR Spectra of Phthalocyanines

机译：简化TD-DFT方法的方法论调查，用于快速准确地解释酞菁紫外线光谱

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1. Methodological Survey of Simplified TD-DFT Methods for Fast and Accurate Interpretation of UV–Vis–NIR Spectra of Phthalocyanines [J] . Alexander G. Martynov, John Mack, Aviwe K. May, ACS Omega . 2019,第4期

机译：简化的TD-DFT方法的方法学调查，用于快速准确地解释酞菁的UV-Vis-NIR光谱
2. INTERPRETATION OF RESONANCE RAMAN SPECTRA OF Zn-PHTHALOCYANINE AND Zn-PHTHALOCYANINE-d{sub}16 BASED ON THE DENSITY FUNCTIONAL METHOD [J] . L. L. Gladkov, V. V. Gromak, V. K. Konstantinova Journal of Applied Spectroscopy . 2007,第3期

机译：基于密度泛函方法的Zn-酞菁和Zn-酞菁-d {sub} 16共振拉曼光谱解释
3. Interpretation of the electronic spectra of phthalocyanines with transition metals from quantum-chemical calculations by the density functional method [J] . Maslov VG Optics and Spectroscopy . 2006,第6期

机译：通过密度泛函方法从量子化学计算中解释酞菁与过渡金属的电子光谱
4. OPTIMIZED ECDA BASED ON SIMULTANEOUS INTERPRETATION OF MULTIPLE ABOVE GROUND SURVEY TECHNIQUES, AND IDENTIFICATION OF REQUIRED EXCAVATION SITES USING A PROBABILISTIC METHODOLOGY [C] . Andrew Francis, Chas Jandu NACE International CORROSION/2006 Conference Papers . 2006

机译：基于多个以上地面勘测技术的同时解释的优化ECDA，并采用概率论方法确定需要的挖掘场地
5. Methodological challenges and interpretation of dietary data from the 1997–1998 Food Habits of Canadians survey [D] . Palaniappan, Uma 2003

机译：1997-1998年加拿大人食物习惯调查中方法论的挑战和饮食数据的解释
6. Methodological Survey of Simplified TD-DFT Methodsfor Fast and Accurate Interpretation of UV–Vis–NIR Spectraof Phthalocyanines [O] . Alexander G. Martynov, *, John Mack, 2019

机译：简化TD-DFT方法的方法学调查快速准确地解释UV-Vis-NIR光谱酞菁类
7. The bacterial identification and antimicrobial susceptibility testing are usually performed manually. Recently, the number of samples has increased and the need for automatification has grown. BioMerieux has investigated Vitek2 for this purpose. HUSLAB has assigned us to compare the identification and antimicrobial results with respect to routine methods and Vitek2. Furthermore, we evaluate test reactions, ESBL (Extended Spectrum Beta-Lactamase) production and the time what it takes to get results with Vitek2. In this study, we examined a total of 183 bacterial isolates including 76 ESBL-strains, 40 nonfermenting rods, 41 fastidious bacteria and 26 fresh clinical isolates. The results of routine methods were gathered from the patient database and following this, compared to the results given by Vitek2. Vitek2 correctly identified more than 96 f the ESBL-strains and fresh clinical isolates. The results of nonfermenting rods and fastidious bacteri a were 70 oncordant with those of the routine methods. Test reaction results of Api20E were 94 nd Api20NE 70 n concordance with Vitek2 results. Approximately 80 f all Vitek2 antimicrobial results and 90 f ESBL test results were correct. Compared to earlier studies, Vitek2 performed the tests faster than the routine methods. These results suggest that Vitek2 is capable of giving rapid and accurate results. However, nonfermenting rods and fastidious bacteria should be studied further. [O] . Järveläinen Marika, Roslund Iira, Silander Maarit 2006

机译：细菌鉴定和抗菌药敏试验通常是手动进行的。最近，样品的数量增加了，并且对自动化的需求也在增长。 BioMerieux为此进行了Vitek2的研究。 HUSLAB已指派我们比较常规方法和Vitek2的鉴定和抗菌结果。此外，我们还评估了测试反应，ESBL（扩展频谱β-内酰胺酶）的产生以及使用Vitek2获得结果所需的时间。在这项研究中，我们检查了总共183个细菌分离株，包括76个ESBL菌株，40个非发酵棒，41个营养细菌和26个新鲜临床分离株。从患者数据库中收集常规方法的结果，然后将其与Vitek2给出的结果进行比较。 Vitek2正确鉴定出超过96种ESBL菌株和新鲜的临床分离株。与常规方法相比，非发酵棒和精制细菌的结果为70。 Api20E的测试反应结果与Vitek2结果一致为94nd Api20NE 70 n。所有Vitek2抗菌结果约80 f和ESBL测试结果90 f正确。与早期的研究相比，Vitek2的测试速度快于常规方法。这些结果表明Vitek2能够给出快速而准确的结果。但是，应进一步研究非发酵棒和营养细菌。

Methodological Survey of Simplified TD-DFT Methods for Fast and Accurate Interpretation of UVVisNIR Spectra of Phthalocyanines

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