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Research article

First published 2021-3

Preparation,crystal structures,properties,and time-dependent density functional theory of two cobalt complexes with 3-hydroxy-2-methyl-quinoline-4-carboxylate

Xiu-Guang Yi, Fei-Ping Lai, Yun-Yi Yan [...]

Journal of Chemical Research

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Research article

First published 2024-1

Density functional theory/time-dependent density functional theory investigations on the color-structure relationship of biopigment molecules

Jing Huang, Lei Yang, Yikun Zhou [...]

Journal of Chemical Research

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Research article

First published 2004-8

Density functional calculations of the frequency-dependent optical rotation: Comparison of theory and experiment for the gas phase

C. Diedrich, S. Causemann, S. Grimme

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2007-5

Electric polarizabilities of the C x Si 4-x (0 ⩽ x ⩽ 4) clusters. A conventional and time-dependent density functional theory study

Demetrios Xenides, Christos S. Garoufalis

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2004-8

Real-space computational methods for linear and nonlinear polarizabilities

Jun-Ichi Iwata, Kazuhiro Yabana, George F. Bertsch

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2023-2

Quantum chemistry calculation and experimental research on the component proportion of black disperse dye

Jingsi Qiu, Yue Liu

Textile Research Journal

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Research article

First published 2017-10

Synthesis,Structure,Photoluminescent and Semiconductor Properties of,and Theoretical Calculations for,a Novel Zinc Complex

Xiu-Guang Yi, Wen-Tong Chen, Jian-Gen Huang [...]

Journal of Chemical Research

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Research article

First published 2019-1

Preparation,photoluminescence,semiconductor properties,and theoretical calculations for a novel zinc zero-dimensional structure complex

Zhi-Qiang Yi, Xiao-Niu Fang, Zi-Yi Cao [...]

Journal of Chemical Research

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Research article

First published 2017-2-18

Experimental and theoretical study of the regioisomers of N,N -dimethyl (((phenylethynyl)phenyl)ethynyl) aniline

Jing-Kun Fang, Yu Fang, Yingjun Zhang [...]

Main Group Chemistry

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Research article

First published 2023-5

Preparation,crystal structure,time-dependent density theory and properties of a novel organic-inorganic hybrid up-conversion luminescence tetranuclear complex

Wen-Quan Zeng, Wei Huang, Chuan-Hui He [...]

Journal of Chemical Research

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