Density Functional Theoretical and Time-dependent Density Functional Theoretical Study on Thiophene-Benzothiadiazole-based Polymers

Woo Han Young; Uddin Mohammad Afsar; Hwang Sungu

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Density Functional Theoretical and Time-dependent Density Functional Theoretical Study on Thiophene-Benzothiadiazole-based Polymers

机译：噻吩-苯并噻二唑基聚合物的密度泛函理论和随时间变化的密度泛函理论研究

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来源
《Bulletin of the Korean Chemical Society》 |2015年第1期|共4页
作者
Woo Han Young; Uddin Mohammad Afsar; Hwang Sungu;
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原文格式 PDF
正文语种 eng
中图分类化学;
关键词
DFT; TD-DFT; HOMO; Bandgap; Solar cell; Optoelectronic device;

机译：DFT;TD-DFT;HOMO;带隙;太阳能电池;光电器件;

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专利

1. Density Functional Theoretical and Time-dependent Density Functional Theoretical Study on Thiophene-Benzothiadiazole-based Polymers [J] . Woo Han Young, Uddin Mohammad Afsar, Hwang Sungu Bulletin of the Korean Chemical Society . 2015,第1期

机译：噻吩-苯并噻二唑基聚合物的密度泛函理论和随时间变化的密度泛函理论研究
2. Theoretical study on spin-forbidden transitions of osmium complexes by two-component relativistic time-dependent density functional theory [J] . Imamura Yutaka, Kamiya Muneaki, Nakajima Takahito Chemical Physics Letters . 2016,第Null期

机译：二组分相对论时变密度泛函理论研究配合物的自旋禁跃跃迁
3. Time-dependent density functional theoretical studies on the photo-induced dynamics of an HCl molecule encapsulated in C60 under femtosecond laser pulses [J] . Liu Dan-Dan, Zhang Hong 中国物理：英文版 . 2013,第010期

机译：飞秒激光脉冲下C60包裹的HCl分子光诱导动力学的时变密度泛函理论研究
4. An Experimental and Theoretical Study of Molecular Structure and Vibrational Spectra of 2-Methylphenyl Boronic Acid by Density Functional Theory Calculations [C] . SudhirM. Hiremath, C.S. Hiremath, S.S. Khemalapure, International Conference on Condensed Matter and Applied Physics . 2017

机译：密度函数理论计算对2-甲基苯基硼酸的分子结构和振动光谱的实验与理论研究
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. Theoretical studies of optoelectronic and photovoltaic properties of D–A polymer monomers by Density Functional Theory (DFT) [O] . Numbury Surendra Babu, Said A.H. Vuai 2021

机译：密度函数理论（DFT）对D-A聚合物单体的光电和光伏性能的理论研究
7. Theoretical Study of Fulleropyrrolidines by Density Functional and Time-Dependent Density Functional Theory [O] . -1

机译：密度函数和时间依赖性密度函数理论的富勒固体的理论研究

Density Functional Theoretical and Time-dependent Density Functional Theoretical Study on Thiophene-Benzothiadiazole-based Polymers

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