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Time-Dependent Density Functional Calculations of Optical Rotatory Dispersion Including Resonance Wavelengths as a Potentially Useful Tool for Determining Absolute Configurations of Chiral Molecules

机译：光学旋转分散体的时间依赖性密度函数计算，包括谐振波长作为用于确定手性分子的绝对配置的潜在有用的工具

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1. Time-Dependent Density Functional Calculations of Optical Rotatory Dispersion Including Resonance Wavelengths as a Potentially Useful Tool for Determining Absolute Configurations of Chiral Molecules [J] . Jochen Autschbach, Lasse Jensen, George C.Schatz, The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2006,第7期

机译：旋光色散的时变密度泛函计算，包括共振波长，作为确定手性分子绝对构型的潜在有用工具
2. Determination of absolute configurations of 4-hydroxyequilenin-cytosine and -adenine adducts by optical rotatory dispersion, electronic circular dichroism, density functional theory calculations, and mass spectrometry. [J] . Ding S, Wang Y, Kolbanovskiy A, Chemical research in toxicology . 2008,第9期

机译：通过旋光色散，电子圆二色性，密度泛函理论计算和质谱分析法确定4-羟基马来酸-胞嘧啶和-腺嘌呤加合物的绝对构型。
3. Calculation of circular dichroism spectra from optical rotatory dispersion,and vice versa,as complementary tools for theoretical studies of optical activity using time-dependent density functional theory [J] . Mykhaylo Krykunov, Matthew D.Kundrat, Jochen Autschbach The Journal of Chemical Physics . 2006,第19期

机译：从旋光色散计算圆二色性光谱，反之亦然，这是使用时变密度泛函理论对光学活性进行理论研究的辅助工具
4. Nonlinear Optical Properties of Conjugated Molecules Studied by Time-Dependent Density Functional Theory [C] . J. Guthmuller, D. Simon International Conference of Computational Methods in Sciences and Engineering 2007(ICCMSE 2007); 20070925-30; Corfu(GR) . 2007

机译：时变密度泛函理论研究共轭分子的非线性光学性质
5. Tuned density functional theory applied in time-dependent density functional theory calculations of optical and chiroptical properties. [D] . Moore, Barry E., II. 2016

机译：调整后的密度泛函理论应用于随时间变化的光学和按摩特性的密度泛函理论计算。
6. Determination of absolute configurations of 4-hydroxyequilenin-cytosine and -adenine adducts by optical rotatory dispersion electronic circular dichroism density functional theory calculations and mass spectrometry [O] . Shuang Ding, Yan Wang, Alexander Kolbanovskiy, -1

机译：旋光色散电子圆二色性密度泛函理论计算和质谱法测定4-羟基马脑素-胞嘧啶和-腺嘌呤加合物的绝对构型
7. Determination of Absolute Configurations of 4-Hydroxyequilenin-Cytosine and -Adenine Adducts by Optical Rotatory Dispersion, Electronic Circular Dichroism, Density Functional Theory Calculations, and Mass Spectrometry [O] . Shuang Ding, Yan Wang, Alexander Kolbanovskiy, 2008

机译：通过光学旋转分散，电子圆形二色性，密度泛函理论计算和质谱法测定4-羟基赤藻素 - 胞嘧啶和 - 致仁加合物的绝对施用

Time-Dependent Density Functional Calculations of Optical Rotatory Dispersion Including Resonance Wavelengths as a Potentially Useful Tool for Determining Absolute Configurations of Chiral Molecules

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