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Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|
January 11, 2020
A theoretical study on electronic spectra of a novel series of metal substituted boron subphthalocyanine chloride
Wenlan Chen, Suoping Peng, Shaohui Zheng
International Journal of Molecular Sciences
|
December 24, 2021
Designing Potential Donor Materials Based on DRCN5T with Halogen Substitutions: A DFT/TDDFT Study
Yunjie Xiang, Jie Zhang, Shaohui Zheng
The Journal of Physical Chemistry. A
|
March 13, 2025
Theoretical Exploration of the Effects of Conjugated Side Chains on the Photoelectric Properties of Y6-Based Nonfullerene Acceptors
Xingyu Xie, Zhiyun Chen, Shaohui Zheng
The Journal of Physical Chemistry. A
|
May 9, 2025
Impact of Terminal Halogen and CN Substitutions on Photoelectric Properties of Asymmetric Y6-Based NFA with Terminal Groups in Different Orientations: A DFT/TDDFT Study
Zhuan Qi, Huake Liu, Shaohui Zheng
RSC Advances
|
May 11, 2022
The effect of metallic Fe(ii) and nonmetallic S codoping on the photocatalytic performance of graphitic carbon nitride
Hailong Dou, Shaohui Zheng, Yongping Zhang
International Journal of Molecular Sciences
|
May 27, 2023
Increasing Charge Carrier Mobility through Modifications of Terminal Groups of Y6: A Theoretical Study
Yunjie Xiang, Chunlin Xu, Shaohui Zheng
The Journal of Physical Chemistry. A
|
July 16, 2020
Modeling of Hydrogen Storage Utilizing Silsesquioxane Cages: Adsorption and Quasi-Dynamic Simulations of Encapsulation of H<sub>2</sub> Molecule into Silsesquioxane Cages
Mengyue Xiao, Yongping Tian, Shaohui Zheng
Journal of Chemical Theory and Computation
|
November 21, 2015
Solvated Charge Transfer States of Functionalized Anthracene and Tetracyanoethylene Dimers: A Computational Study Based on a Range Separated Hybrid Functional and Charge Constrained Self-Consistent Field with Switching Gaussian Polarized Continuum Models
Shaohui Zheng, Eitan Geva, Barry D Dunietz
The Journal of Chemical Physics
|
April 22, 2025
Utilizing hybridization effects to tune morphology and electron mobility of Y6 through asymmetric small- and large-scale modifications of terminal groups
Xiping Zhu, Zhijun Cao, Huake Liu, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|
November 20, 2023
Understanding the effects of sulfur di-oxidation and side chain engineering on absorption and fluorescence of oligothiophene: A theoretical study
Man Li, Xiping Zhu, Jiaman Peng, et al.
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Search research articles
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Showing results (11-20 of 89) with videos related to
Sort By:
Page
of 9
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|
January 11, 2020
A theoretical study on electronic spectra of a novel series of metal substituted boron subphthalocyanine chloride
Wenlan Chen, Suoping Peng, Shaohui Zheng
International Journal of Molecular Sciences
|
December 24, 2021
Designing Potential Donor Materials Based on DRCN5T with Halogen Substitutions: A DFT/TDDFT Study
Yunjie Xiang, Jie Zhang, Shaohui Zheng
The Journal of Physical Chemistry. A
|
March 13, 2025
Theoretical Exploration of the Effects of Conjugated Side Chains on the Photoelectric Properties of Y6-Based Nonfullerene Acceptors
Xingyu Xie, Zhiyun Chen, Shaohui Zheng
The Journal of Physical Chemistry. A
|
May 9, 2025
Impact of Terminal Halogen and CN Substitutions on Photoelectric Properties of Asymmetric Y6-Based NFA with Terminal Groups in Different Orientations: A DFT/TDDFT Study
Zhuan Qi, Huake Liu, Shaohui Zheng
RSC Advances
|
May 11, 2022
The effect of metallic Fe(ii) and nonmetallic S codoping on the photocatalytic performance of graphitic carbon nitride
Hailong Dou, Shaohui Zheng, Yongping Zhang
International Journal of Molecular Sciences
|
May 27, 2023
Increasing Charge Carrier Mobility through Modifications of Terminal Groups of Y6: A Theoretical Study
Yunjie Xiang, Chunlin Xu, Shaohui Zheng
The Journal of Physical Chemistry. A
|
July 16, 2020
Modeling of Hydrogen Storage Utilizing Silsesquioxane Cages: Adsorption and Quasi-Dynamic Simulations of Encapsulation of H<sub>2</sub> Molecule into Silsesquioxane Cages
Mengyue Xiao, Yongping Tian, Shaohui Zheng
Journal of Chemical Theory and Computation
|
November 21, 2015
Solvated Charge Transfer States of Functionalized Anthracene and Tetracyanoethylene Dimers: A Computational Study Based on a Range Separated Hybrid Functional and Charge Constrained Self-Consistent Field with Switching Gaussian Polarized Continuum Models
Shaohui Zheng, Eitan Geva, Barry D Dunietz
The Journal of Chemical Physics
|
April 22, 2025
Utilizing hybridization effects to tune morphology and electron mobility of Y6 through asymmetric small- and large-scale modifications of terminal groups
Xiping Zhu, Zhijun Cao, Huake Liu, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|
November 20, 2023
Understanding the effects of sulfur di-oxidation and side chain engineering on absorption and fluorescence of oligothiophene: A theoretical study
Man Li, Xiping Zhu, Jiaman Peng, et al.
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