Search Results - Xia, Bao-hui

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  1. 1
    Density Functional Calculation and Evaluation of the Spectroscopic Properties and Luminescent Material Application Potential of the N-Heterocyclic Platinum(II) Tetracarbene Complexes

    Density Functional Calculation and Evaluation of the Spectroscopic Properties and Luminescent Material Application Potential of the N-Heterocyclic Platinum(II) Tetracarbene Complex... by Xia, Bao-Hui, Ma, Yin-Si, Bai, Fu-Quan

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  2. 2
    Theoretical analysis of expanded porphyrins: Aromaticity, stability, and optoelectronic properties

    Theoretical analysis of expanded porphyrins: Aromaticity, stability, and optoelectronic properties by Wei, Wei, Zhao, Zeng-Xia, Xia, Bao-Hui, Li, Wei

    Published in Frontiers in chemistry
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  3. 3
    Theoretical Studies on Structures and Spectroscopic Properties of a Series of Novel Cationic [trans-(C∧N)2Ir(PH3)2]+ (C∧N = ppy, bzq, ppz, dfppy)

    Theoretical Studies on Structures and Spectroscopic Properties of a Series of Novel Cationic [trans-(C∧N)2Ir(PH3)2]+ (C∧N = ppy, bzq, ppz, dfppy) by Liu, Tao, Zhang, Hong-Xing, Xia, Bao-Hui

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  4. 4
    On the viability of cyclometalated Ru(II) complexes as dyes in DSSC regulated by COOH group, a DFT study

    On the viability of cyclometalated Ru(II) complexes as dyes in DSSC regulated by COOH group, a DFT study by JIAN WANG, BAI, Fu-Quan, XIA, Bao-Hui, LU FENG, ZHANG, Hong-Xing, PAN, Qing-Jiang

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  5. 5
    DFT/TD-DFT investigation on Ir(III) complexes with N-heterocyclic carbene ligands: Geometries, electronic structures, absorption, and phosphorescence properties

    DFT/TD-DFT investigation on Ir(III) complexes with N-heterocyclic carbene ligands: Geometries, electronic structures, absorption, and phosphorescence properties by Liu, Tao, Xia, Bao-Hui, Zheng, Qing-Chuan, Zhou, Xin, Pan, Qing-Jiang, Zhang, Hong-Xing

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  6. 6
    Theoretical Studies of the Spectroscopic Properties of [Pt(trpy)C⋮CR]+ (trpy = 2,2‘,6‘,2‘ ‘-Terpyridine; R = H, CH2OH, and C6H5)

    Theoretical Studies of the Spectroscopic Properties of [Pt(trpy)C⋮CR]+ (trpy = 2,2‘,6‘,2‘ ‘-Terpyridine; R = H, CH2OH, and C6H5) by Zhou, Xin, Zhang, Hong-Xing, Pan, Qing-Jiang, Xia, Bao-Hui, Tang, Au-chin

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  7. 7
    A density functional theory investigation of the stability, aromaticity, and photophysical behavior for the highly conjugated macrocycles containing 4 pyrroles

    A density functional theory investigation of the stability, aromaticity, and photophysical behavior for the highly conjugated macrocycles containing 4 pyrroles by Wei, Wei, Bai, Fu‐Quan, Xia, Bao‐Hui, Wang, Jian, Zhang, Hong‐Xing

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  8. 8
    Theoretical Studies on Structures and Spectroscopic Properties of Bis-Cyclometalated Iridium Complexes

    Theoretical Studies on Structures and Spectroscopic Properties of Bis-Cyclometalated Iridium Complexes by Liu, Tao, Xia, Bao-Hui, Zhou, Xin, Zhang, Hong-Xing, Pan, Qing-Jiang, Gao, Jin-Sheng

    Published in Organometallics
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  9. 9
    Theoretical investigations of the aromaticity, stability and photophysical behaviors for expanded porphyrins

    Theoretical investigations of the aromaticity, stability and photophysical behaviors for expanded porphyrins by Wei, Wei, Li, Wei, Xia, Bao-Hui, Zhang, Hong-Xing, Bai, Fu-Quan

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  10. 10
    Theoretical investigation on the spectroscopic properties of cyclometallated iridium (III) complexes and the deprotonation influence on them in solution

    Theoretical investigation on the spectroscopic properties of cyclometallated iridium (III) complexes and the deprotonation influence on them in solution by Wang, Jian, Xia, Bao-Hui, Bai, Fu-Quan, Sun, Lei, Zhang, Hong-Xing

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  11. 11
    Efficient Blue-Emitting Ir(III) Complexes with Phosphine Carbanion-Based Ancillary Ligand: A DFT Study

    Efficient Blue-Emitting Ir(III) Complexes with Phosphine Carbanion-Based Ancillary Ligand: A DFT Study by Wang, Jian, Bai, Fu-Quan, Xia, Bao-Hui, Zhang, Hong-Xing

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  12. 12
    Theoretical Analysis on Magnetic Properties of Conjugated Organic Molecules Containing Borepin

    Theoretical Analysis on Magnetic Properties of Conjugated Organic Molecules Containing Borepin by Wei, Wei, Bai, Fu-quan, Xia, Bao-hui, Chen, Hai-bo, Zhang, Hong-xing

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  13. 13
    Theoretical Analysis on Molecular Magnetic Properties of N-Confused Porphyrins and Its Derivatives

    Theoretical Analysis on Molecular Magnetic Properties of N-Confused Porphyrins and Its Derivatives by Wei, Wei, Bai, Fu-Quan, Xia, Bao-Hui, Zhang, Hong-Xing

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  14. 14
    DFT and TD-DFT study on the electronic structures and phosphorescent properties of 6-phenyl-2,2′-bipyridine tridentate iridium(iii) complexes and their isomer

    DFT and TD-DFT study on the electronic structures and phosphorescent properties of 6-phenyl-2,2′-bipyridine tridentate iridium(iii) complexes and their isomer by Bai, Fu-Quan, Wang, Jian, Xia, Bao-Hui, Pan, Qing-Jiang, Zhang, Hong-Xing

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  15. 15
    Theoretical Understanding of Ruthenium(II) Based Fluoride Sensor Derived from 4,5-Bis(benzimidazol-2-yl)imidazole (H3ImBzim) and Bipyridine: Electronic Structure and Binding Nature

    Theoretical Understanding of Ruthenium(II) Based Fluoride Sensor Derived from 4,5-Bis(benzimidazol-2-yl)imidazole (H3ImBzim) and Bipyridine: Electronic Structure and Binding Nature by Wang, Jian, Bai, Fu-Quan, Xia, Bao-Hui, Sun, Lei, Zhang, Hong-Xing

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  16. 16
    Electronic structures and optical properties of neutral substituted fluorene-based cyclometalated platinum(II)–acetylide complexes: A DFT exploration

    Electronic structures and optical properties of neutral substituted fluorene-based cyclometalated platinum(II)–acetylide complexes: A DFT exploration by Bai, Fu-Quan, Zhou, Xin, Xia, Bao-Hui, Liu, Tao, Zhang, Jian-Po, Zhang, Hong-Xing

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  17. 17
    Theoretical studies on the electronic structures and optical properties of the oligomers involving bipyridyl, thiophenyl and ethynyl groups

    Theoretical studies on the electronic structures and optical properties of the oligomers involving bipyridyl, thiophenyl and ethynyl groups by Liu, Tao, Gao, Jin-Sheng, Xia, Bao-Hui, Zhou, Xin, Zhang, Hong-Xing

    Published in Polymer (Guilford)
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  18. 18
    Accurate simulation of geometry, singlet-singlet and triplet-singlet excitation of cyclometalated iridium(III) complex

    Accurate simulation of geometry, singlet-singlet and triplet-singlet excitation of cyclometalated iridium(III) complex by Wang, Jian, Bai, Fu-Quan, Xia, Bao-Hui, Zhang, Hong-Xing, Cui, Tian

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  19. 19
    DFT and TD-DFT Calculations on the Electronic Structures and Spectroscopic Properties of Cyclometalated Platinum(II) Complexes

    DFT and TD-DFT Calculations on the Electronic Structures and Spectroscopic Properties of Cyclometalated Platinum(II) Complexes by Zhou, Xin, Pan, Qing-Jiang, Xia, Bao-Hui, Li, Ming-Xia, Zhang, Hong-Xing, Tung, Au-Chin

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  20. 20
    Mechanism of Ir(ppy)2(N^N)+ (N^N = 2-Phenyl-1H-imidazo[4,5-f][1,10]phenanthroline) Sensor for F−, CF3COOH, and CH3COO−: Density Functional Theory and Time-Dependent Density Functional Theory Studies

    Mechanism of Ir(ppy)2(N^N)+ (N^N = 2-Phenyl-1H-imidazo[4,5-f][1,10]phenanthroline) Sensor for F−, CF3COOH, and CH3COO−: Density Functional Theory and Time-Dependent Density Functio... by Liu, Tao, Zhang, Hong-Xing, Zhou, Xin, Zheng, Qing-Chuan, Xia, Bao-Hui, Pan, Qing-Jiang

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