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RESEARCH PAPER · Physical Chemistry Chemical Physics · 2021

Tuning the first hyperpolarizability of hexaphyrins with different connections of mislinked pyrrole units: a theoretical study

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42 direct citing works

Tuning the first hyperpolarizability of hexaphyrins with different connections of mislinked pyrrole units: a theoretical studyOriginalAn intramolecular-locked strategy for designing nonlinear optical materials with remarkable first hyperpolarizability9Second-Order Nonlinear Optics Response of the Boron-Dipyrromethenes-Based Mislinked Expanded Porphyrins: Revealing the Role of the −BF 2 Group20Creation from Confusion and Fusion in the Porphyrin World─The Last Three Decades of N-Confused Porphyrinoid Chemistry132Molecular electric field regulation of porphyrin/phthalocyanine optoelectronic materials1A strategy to design nonlinear optical materials: Self‐assembling by π ‐ π stacking2Structural, electronic, and nonlinear optical properties of small silver clusters doped graphyne and pyrazine‐modified graphyne: A computational and comparative study3Bis-TTF-Ge derivatives: promising linear and nonlinear optical properties, a theoretical investigation37Single vacancy-defect endohedral metallofullerene-superhalogens: molecular topology and nonlinear optical responses of Na@C59[9-4]([8-5])-AlX 4 (X = Cl, Br) systems3Single Vacancy-Defected Endohedral Metallofullerene-Superhalogen: Molecular Topology and Nonlinear Optical Property of Na@C59[9-4]([8-5])-Alx4 (X=Cl, Br) Systems0Intramolecular boron-locking strategy induced remarkable first hyperpolarizability: role of torsion angles between donor and acceptor units5Benzo‐bisimidazole based nanosheets having porphyrin like internal core with high second order nonlinear optical response: A theoretical perspective1A DFT study of the second-order nonlinear optical properties of [22]smaragdyrin-BF2-NiII porphyrin fused hybrids4Third-order nonlinear optical properties of a series of pyrroles and dipyrroles featuring π-conjugated substituents and linkers0Evaluation of the second-order nonlinear optical properties of oxasmaragdyrin-BODIPY derivatives4From Molecular Structure to Optical Functionality: Tailoring Nonlinear Optical Behavior in Phosphorus‐Doped g‐C 3 N 41Investigation of electronic and nonlinear optical properties of two-unit BODIPY systems linked by π-bridges using advanced Python-based analysis tools3Descriptors Assisted in Design High-performance Nonlinear Optical Materials with Donor-Acceptor Framework Systems0

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  1. An intramolecular-locked strategy for designing nonlinear optical materials with remarkable first hyperpolarizability

    Physical Chemistry Chemical Physics · 2022-01-01

    Bo Li, Tiejun Xiao, Hujun Shen, Mingsen Deng, Feng Long Gu

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  2. Second-Order Nonlinear Optics Response of the Boron-Dipyrromethenes-Based Mislinked Expanded Porphyrins: Revealing the Role of the −BF 2 Group

    The Journal of Physical Chemistry Letters · 2022-01-06

    Bo Li, Hujun Shen, Mingsen Deng, Feng Long Gu

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  3. Creation from Confusion and Fusion in the Porphyrin World─The Last Three Decades of N-Confused Porphyrinoid Chemistry

    Chemical Reviews · 2022-03-01

    Motoki Toganoh, Hiroyuki Furuta

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  4. Molecular electric field regulation of porphyrin/phthalocyanine optoelectronic materials

    Scientia Sinica Chimica · 2022-05-20

    Xijiao Mu, Sibei Mai, Congping Li, Jing Cao

    Read original paper ↗ ·
  5. A strategy to design nonlinear optical materials: Self‐assembling by π ‐ π stacking

    Journal of the Chinese Chemical Society · 2022-08-04

    Bo Li, Liang Peng, Chao Xu, Feng Long Gu

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  6. Structural, electronic, and nonlinear optical properties of small silver clusters doped graphyne and pyrazine‐modified graphyne: A computational and comparative study

    International Journal of Quantum Chemistry · 2022-11-25

    Na Hou, Xiaohui Fang, Tingting Liu

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  7. Bis-TTF-Ge derivatives: promising linear and nonlinear optical properties, a theoretical investigation

    New Journal of Chemistry · 2022-12-06

    Dalila Kamli, Douniazed Hannachi, Djamila Samsar, Henry Chermette

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  8. Single vacancy-defect endohedral metallofullerene-superhalogens: molecular topology and nonlinear optical responses of Na@C59[9-4]([8-5])-AlX 4 (X = Cl, Br) systems

    New Journal of Chemistry · 2023-01-01

    Nabil Omri, Néji Besbes, Yuxiang Bu

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  9. Single Vacancy-Defected Endohedral Metallofullerene-Superhalogen: Molecular Topology and Nonlinear Optical Property of Na@C59[9-4]([8-5])-Alx4 (X=Cl, Br) Systems

    SSRN Electronic Journal · 2023-01-01

    Nabil Omri, Néji Besbes, Yuxiang Bu

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  10. Intramolecular boron-locking strategy induced remarkable first hyperpolarizability: role of torsion angles between donor and acceptor units

    Physical Chemistry Chemical Physics · 2024-01-01

    Bo Li, Shichen Lin, Feng Long Gu

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  11. Benzo‐bisimidazole based nanosheets having porphyrin like internal core with high second order nonlinear optical response: A theoretical perspective

    International Journal of Quantum Chemistry · 2024-01-25

    Rajneesh Kumar, Ajeet Singh

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  12. A DFT study of the second-order nonlinear optical properties of [22]smaragdyrin-BF2-NiII porphyrin fused hybrids

    Computational and Theoretical Chemistry · 2024-10-02

    Tingting Liu, Yan Yan, Yu Yang, Na Hou

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  13. Third-order nonlinear optical properties of a series of pyrroles and dipyrroles featuring π-conjugated substituents and linkers

    Physical Chemistry Chemical Physics · 2025-01-01

    Elisha Bennett, Adil Alkaş, Roberto M. Diaz‐Rodriguez, Jacob W. Campbell, Luke A. Ferguson, Michael J. Cotnam, Richard Cisek, Alison Thompson, Danielle Tokarz

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  14. Evaluation of the second-order nonlinear optical properties of oxasmaragdyrin-BODIPY derivatives

    Computational and Theoretical Chemistry · 2025-01-05

    Yu Yang, Yan Yan, Na Hou

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  15. From Molecular Structure to Optical Functionality: Tailoring Nonlinear Optical Behavior in Phosphorus‐Doped g‐C 3 N 4

    Applied Organometallic Chemistry · 2025-06-19

    Nabil Omri, Yuxiang Bu

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  16. Investigation of electronic and nonlinear optical properties of two-unit BODIPY systems linked by π-bridges using advanced Python-based analysis tools

    Computational and Theoretical Chemistry · 2025-07-15

    Kamal Ziadi

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  17. Descriptors Assisted in Design High-performance Nonlinear Optical Materials with Donor-Acceptor Framework Systems

    Chemical Research in Chinese Universities · 2025-08-27

    Bo Li, Feng Long Gu

    Read original paper ↗ ·