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Theoretical Determination Of The pKas Of Betalamic Acid Related To The Free-Radical Scavenger Capacity: Comparison Between Semi-Empirical And Ab Initio Methods

机译：与自由基清除剂容量相关的β-丙二酸的pKa的理论测定：半经验和从头算方法的比较

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Almerico AM; Tutone M; Lauria A;
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年度 2013
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1. Theoretical Determination of the pK (a) Values of Betalamic Acid Related to the Free Radical Scavenger Capacity: Comparison Between Empirical and Quantum Chemical Methods [J] . Tutone Marco, Lauria Antonino, Almerico Anna Maria Interdisciplinary Sciences: Computational Life Sciences . 2016,第2期

机译：与自由基清除剂容量相关的β-丙二酸的pK（a）值的理论测定：经验和量子化学方法的比较
2. Calculation of thermodynamic properties of the most important forty-seven different solvents to create an information data bank through semi-empirical quantum methods used in determination of theoretical pKa [J] . ?slamo?lu Fatih, Erdo?an Naciye Indian journal of chemistry . 2020,第7期

机译：计算最重要的四十七种不同溶剂的热力学特性，通过用于测定理论pKa的半经验量子方法来创建信息数据库
3. Determination of the pKa for caffeic acid in mixed solvent using the net analyte signal method and ab initio theory [J] . Abbas Dadras, Ali Benvidi, Mansoor Namazian, Journal of the Serbian Chemical Society . 2019,第4期

机译：净分析物信号法和从头算法测定混合溶剂中咖啡酸的pKa
4. The use of theoretical and experimental methods of Raman spectroscopy in the determination of unsaturated fatty acids in vegetable oils [C] . K.V. Berezin, K.N. Dvoretsky, M.L. Chernavina, Russian Foundation for Basic Research;Russian Academy of Sciences;International Symposium on Optics and Biophotonics: Saratov Fall Meeting . 2019

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5. Investigation of structure-property relationships in materials using Ab-initio and Semi-empirical methods. [D] . Liyanage, Laalitha S. I. 2012

机译：使用从头算和半经验方法研究材料中的结构-特性关系。
6. Pharmacological Classification and Activity Evaluation of Furan and Thiophene Amide Derivatives Applying Semi-Empirical ab initio Molecular Modeling Methods [O] . Leszek Bober, Piotr Kawczak, Tomasz Baczek 2012

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7. Theoretical Determination of the pK a Values of Betalamic Acid Related to the Free Radical Scavenger Capacity: Comparison Between Empirical and Quantum Chemical Methods [O] . Tutone M., Lauria A., Almerico A. 2015

机译：与自由基清除剂容量相关的甜菜碱酸的pK a值的理论测定：经验和量子化学方法的比较

Theoretical Determination Of The pKas Of Betalamic Acid Related To The Free-Radical Scavenger Capacity: Comparison Between Semi-Empirical And Ab Initio Methods

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