B. Xia

发表

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

T. Liu, Hong-Xing Zhang, Fuquan Bai, 2009 .

Theoretical studies of the spectroscopic properties of blue emitting iridium complexes

T. Liu, Qingchuan Zheng, Hong-Xing Zhang, 2008 .

A novel series of iridium complexes with alkenylquinoline ligands: Theoretical study on electronic structure and spectroscopic property

T. Liu, Hong-Xing Zhang, Qingjiang Pan, 2009 .

New 1,3,4-oxadiazole containing materials with the effective leading substituents: The electrochemical properties, optical absorptions, and the electronic structures

W. Tian, B. Xia, Bing Yang, 2006 .

Efficient blue-emitting Ir(III) complexes with phosphine carbanion-based ancillary ligand: a DFT study.

Hong-Xing Zhang, Fuquan Bai, B. Xia, 2011, The journal of physical chemistry. A.

Theoretical studies on structures and spectroscopic properties of photoelectrochemical cell ruthenium sensitizers, [Ru(Hmtcterpy)(NCS)3]n- (m = 0, 1, 2, and 3; n = 4, 3, 2, and 1).

Tao Liu, Ming-Xia Li, Hong-Gang Fu, 2008, Inorganic chemistry.

Accurate simulation of geometry, singlet-singlet and triplet-singlet excitation of cyclometalated iridium(III) complex

Hong-Xing Zhang, Fuquan Bai, T. Cui, 2014, Journal of Molecular Modeling.

A DFT exploration of luminescent rhenium(I) tricarbonyl diimine complex with a triarylboron moiety and its F derivative

Hong-Xing Zhang, Fuquan Bai, B. Xia, 2011 .

Electronic structures and spectroscopic properties of promising highly efficient red phosphorescent Os(II)(LR)2(PH3)2 complexes: a theoretical exploration

Hong-Xing Zhang, B. Xia, Jian-po Zhang, 2010 .

Theoretical studies on metal-metal interaction and spectroscopic properties of a series of hetero-binuclear d(8)-d(10) complexes containing iridium(i) and gold(i).

T. Liu, Hong-Xing Zhang, Xin Zhou, 2008, Dalton transactions.

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

Hong-Xing Zhang, Fuquan Bai, B. Xia, 2011 .

Theoretical studies on the optical properties and substituent effects of osmium (II) complexes Os(N^N)(CN)2(PH3)2

Hong-Xing Zhang, Qingjiang Pan, Xin Zhou, 2008 .

Theoretical Studies on [Ru(bpy)2(NN)]2+ [NN = Hydrazone and Azine]: Ground‐ and Excited‐State Geometries, Electronic Structures, Absorptions, and Phosphorescence Mechanisms

T. Liu, Hong-Xing Zhang, Xin Zhou, 2008 .

Quantum chemistry study on electron structures and spectroscopic properties of monooxo- and dioxo-osmium (VI) complexes with ring ligands

Hong-Xing Zhang, Xin Zhou, B. Xia, 2008 .

Electronic structures and spectroscopic properties of nitrido-osmium(VI) complexes with acetylide ligands [OsN(CCR)4]− RH, CH3, and Ph by density functional theory calculation

Hong-Xing Zhang, Qingjiang Pan, B. Xia, 2006 .

Theoretical studies on the structural and optical properties of a series of Os(II) diimine complexes [Os(N∧N)(CO)2I2] (N∧N = 2,2′-bipyridine(bpy), 4,4′-di-tert-butyl-2,2′-bipyridine(dbubpy), 4,4′-dichlorine-2,2′-bipyridine(dclbpy))

T. Liu, Hong-Xing Zhang, Qingjiang Pan, 2008 .

Stability, Aromaticity, and Photophysical Behaviors of Macrocyclic Molecules: A Theoretical Analysis

Wei Li, Fuquan Bai, B. Xia, 2020, Frontiers in Chemistry.

DFT and TD-DFT calculations on the electronic structures and spectroscopic properties of cyclometalated platinum(II) complexes.

Hong-Xing Zhang, Qingjiang Pan, Xin Zhou, 2007, The journal of physical chemistry. A.

Electronic structures and optical properties of two anthracene derivatives

W. Tian, B. Xia, Bing Yang, 2006 .

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

Hong-Xing Zhang, Fuquan Bai, B. Xia, 2017 .

Photoluminescent metal-sulfur clusters derived from tetrathiometalates: metal-to-metal charge-transfer excited states of d0-d10 heterobimetallic sulfido clusters with bulky phosphine ligands.

C. Che, J. S. Huang, B. Xia, 2001, Chemistry.

Metal-metal interactions in heterobimetallic d8-d10 complexes. Structures and spectroscopic investigation of [M'M' '(mu-dcpm)2(CN)2]+ (M' = Pt, Pd; M' ' = Cu, Ag, Au) and related complexes by UV-vis absorption and resonance Raman spectroscopy and ab initio calculations.

Zhong-Yuan Zhou, Chi-Ming Che, Nianyong Zhu, 2003, Journal of the American Chemical Society.

DFT evaluation of the electronic structures and spectroscopic properties of the self-assembled [Pt2M4(C ≡ CH)8] (M=Cu, Ag) clusters

Hong-Xing Zhang, Fuquan Bai, B. Xia, 2009 .

Metallophilic attractions between d8-d10 heterometallic compounds trans-[Pt(PH3)2(CN)2] and M(PH3)2+ (M=Ag or Cu): Ab initio study.

Zesheng Li, Hong-Xing Zhang, Qingjiang Pan, 2004, Journal of Chemical Physics.

Metal-metal interactions in dinuclear d(8) metal cyanide complexes supported by phosphine ligands. Spectroscopic properties and ab initio calculations of [M(2)(mu-diphosphine)(2)(CN)(4)] and trans-[M(phosphine)(2)(CN)(2)] (M = Pt, Ni).

C. Che, D. Phillips, B. Xia, 2002, Inorganic chemistry.

Theoretical investigations of the aromaticity, stability and photophysical behaviors for expanded porphyrins

Hong-Xing Zhang, Fuquan Bai, Wei Li, 2019, Chemical Physics Letters.

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.

Hong-Xing Zhang, Fuquan Bai, B. Xia, 2011, The journal of physical chemistry. A.

Theoretical studies on the electronic structures and optical properties of the thiophene oligomer containing 2-(trifluoromethyl) thieno [3, 4-b] thiophene moiety and the CF3 end-caps

Hong-Xing Zhang, Fuquan Bai, B. Xia, 2012, Journal of Polymer Research.

Theoretical studies of the electronic structures and optical properties of stable blue-emitting polymer based on 4H-cyclopenta-[def]-phenanthrene

Hong-Xing Zhang, B. Xia, Tao Liu, 2008 .

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

T. Liu, Hong-Xing Zhang, Xin Zhou, 2007 .

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

Zengxia Zhao, B. Xia, Wei Wei, 2022, Frontiers in Chemistry.

Theoretical analysis on magnetic properties of conjugated organic molecules containing borepin

Hong-Xing Zhang, Fuquan Bai, B. Xia, 2013, Chemical Research in Chinese Universities.

Theoretical studies on square-planar pincer platinum(II) complex and its SO2 adducts: SO2 detector and potential luminescent probe

Hong-Xing Zhang, Qingjiang Pan, Xin Zhou, 2007 .

Theoretical studies on structures and spectroscopic properties of bis-cyclometalated iridium complexes

Tao Liu, Jin-Sheng Gao, Bao-Hui Xia, 2007 .

Quantum investigation into intermolecular interactions between bisphenol A and 2-vinyl/4-vinylpyridine: Theoretical insight into molecular imprinting complexes

Hong-Xing Zhang, P. Zhang, B. Xia, 2017 .

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.

Hong-Xing Zhang, Qingjiang Pan, Fuquan Bai, 2012, Dalton transactions.

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

Xin Zhou, Qing-Chuan Zheng, Hong-Xing Zhang, 2009, J. Comput. Chem..

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

Hong-Xing Zhang, Qingjiang Pan, Fuquan Bai, 2011, Physical chemistry chemical physics : PCCP.

Theoretical studies on structures and spectroscopic properties of bis-cyclometalated iridium complexes [Ir(ppy)2X2]−

Hong-Xing Zhang, B. Xia, Tao Liu, 2008 .

Theoretical studies on structures and spectroscopic properties of a series of novel mixed-ligand Ir(III) complexes [Ir(Mebib)(ppy)X].

Tao Liu, Bao-Hui Xia, T. Liu, 2007, Dalton transactions.

Theoretical investigation on the electronic structures and spectroscopic properties as well as the features as dyes in dye-sensitized solar cells of quinonoid containing Re(I) complexes

Hong-Xing Zhang, P. Zhang, B. Xia, 2018 .

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.

T. Liu, Qingchuan Zheng, Hong-Xing Zhang, 2008, The journal of physical chemistry. A.