Hong-liang Xu

发表

Multilithiation Effect on the First Hyperpolarizability of Carbon–Boron–Nitride Heteronanotubes: Activating Segment versus Connecting Pattern

Z. Su, Hong-liang Xu, Y. Qiu, 2014 .

BN Segment Doped Effect on the First Hyperpolarizibility of Heteronanotubes: Focused on an Effective Connecting Pattern

Z. Su, Hong-liang Xu, Y. Qiu, 2013 .

Alkali-metal-controlled changes of stability and NLO properties in ideal unscrewing process of double helix

Z. Su, Hong-liang Xu, Feng-Yi Zhang, 2020 .

The effect of boron nitride nanotubes size on the HArF interaction by NBO and AIM analysis

Z. Su, Hong-liang Xu, Liang Zhao, 2014 .

The second-order nonlinear optical property of hydrazones-based photochromic complexes: A DFT study

Z. Su, Hong-liang Xu, Y. Qiu, 2020 .

Proton transfer in the complex H3N...HCl catalyzed by encapsulation into a C60 cage.

Zesheng Li, Zong‐Jun Li, Fang Ma, 2009, Chemphyschem : a European journal of chemical physics and physical chemistry.

A designed bithiopheneimide-based conjugated polymer for organic photovoltaic with ultrafast charge transfer at donor/PC(71)BM interface: theoretical study and characterization.

Z. Su, Hong-liang Xu, Shuang-Bao Li, 2014, Physical chemistry chemical physics : PCCP.

The inner-induced effects of YCN in C76 on the structures and nonlinear optical properties

Z. Su, Hong-liang Xu, Feng-Wei Gao, 2016, Journal of Molecular Modeling.

“Dancing inside the ball”: the structures and nonlinear optical properties of three Sc2S@C3v(8)-C82 isomers

Z. Su, Hong-liang Xu, Shiling Sun, 2015, Journal of Molecular Modeling.

The V-shaped polar molecules encapsulated into Cs (10528)-C72: stability and nonlinear optical response.

Z. Su, Xiumei Pan, Hong-liang Xu, 2014, Dalton transactions.

Endohedral metallofullerene Sc3NC@C84: a theoretical prediction.

Z. Su, Hong-liang Xu, Donglai Wang, 2012, Physical chemistry chemical physics : PCCP.

Intra- and Intermolecular Charge Transfer in a Novel Dimer: Cooperatively Enhancing Second-Order Optical Nonlinearity

Z. Su, Hong-liang Xu, Rong-Lin Zhong, 2017 .

Intra-ring Proton Transfer Effect on the Structure-NLO Property Relationships of Phthalocyanine Derivatives

Hong-liang Xu, Shuang Wang, Yao Yao, 2022, Journal of Molecular Liquids.

Interior surface (confinement effect) and exterior (odd-even effect) of Fe-BNNTs (n, 0) for CO oxidation: A computational view

Ting Yang, Z. Su, Hong-liang Xu, 2021 .

External Electric Field—Phenyl interaction boosts hydrosilylation of substituted alkynes to α‐vinylsilane

Z. Su, Hong-liang Xu, Ming-Xia Zhang, 2020 .

Synergize curvature and confinement effects for Fe-, Co-, Ni- N2 sites on graphene nanobuds towards eNRR

Hong-liang Xu, Zhongmin Lang, Xing Han, 2022, Molecular Catalysis.

Probing the Structure-Property Relationships of Na+···Cl-@C50N5H5 under the External Electric Field.

Hong-liang Xu, Zhongmin Su, Di Kang, 2022, Inorganic chemistry.

Stimulating intra- and intermolecular charge transfer and nonlinear optical response for biphenalenyl biradicaloid dimer under an external electric field.

Z. Su, Hong-liang Xu, S. Muhammad, 2018, Physical chemistry chemical physics : PCCP.

Tuning the inter-molecular charge transfer, second-order nonlinear optical and absorption spectra properties of a π-dimer under an external electric field.

Z. Su, Feng-wei Gao, Hong-liang Xu, 2017, Physical chemistry chemical physics : PCCP.

Boron/nitrogen substituted the staggered hetero-dimers: Fascinating intermolecular charge-transfer and large NLO responses

Z. Su, Hong-liang Xu, Rong-Lin Zhong, 2017 .

Superatoms-Induced Effects of Phenalenyl π-Dimer on NICS and NLO Properties: Not Always Enhancement

Z. Su, Hong-liang Xu, Feng-Yi Zhang, 2017 .

Phenalenyl π-Dimer under the External Electric Field: Two-Electron/12-Center Bonding Breaking and Emergence of Electrostatic Interaction

Z. Su, Rong-Lin Zhong, Feng-wei Gao, 2017 .

Charge transfer and first hyperpolarizability: cage-like radicals C59X and lithium encapsulated Li@C59X (X=B, N)

Liang Zhao, Z. Su, Hong-liang Xu, 2015, Journal of Molecular Modeling.

Superalkali atoms bonding to the phenalenyl radical: structures, intermolecular interaction and nonlinear optical properties

Liang Zhao, Z. Su, Hong-liang Xu, 2015, Journal of Molecular Modeling.

Superatoms (Li3O and BeF3) induce phenalenyl radical π-dimer: fascinating interlayer charge-transfer and large NLO responses.

Liang Zhao, Z. Su, Hong-liang Xu, 2014, Dalton transactions.

Suitable helical cavity, suitable alkali metal, larger first hyperpolarizability

Z. Su, Hong-liang Xu, Shiling Sun, 2014 .

Isomeric thiophene-fused benzocarborane molecules--different lithium doping effect on the nonlinear optical property.

Z. Su, Rong-Lin Zhong, Shiling Sun, 2014, Dalton transactions.

Theoretical investigation on the 2e/12c bond and second hyperpolarizability of azaphenalenyl radical dimers: strength and effect of dimerization.

Liang Zhao, Z. Su, Hong-liang Xu, 2013, The Journal of chemical physics.

Assembly of Sandwich-Like Supermolecules Li Salts CpLi-C60: Structures, Stabilities, and Nonlinear Optical Properties

Z. Su, Hong-liang Xu, Shiling Sun, 2012 .

Boron/nitrogen substitution of the central carbon atoms of the biphenalenyl diradical π dimer: a novel 2e-12c bond and large NLO responses.

Z. Su, Hong-liang Xu, S. Muhammad, 2011, Chemistry.

Out-of-plane σ-aromaticity and enhanced π-aromaticity in superatom compounds Li3+N42−M3+ (M = Li, Na and K)

Zesheng Li, Di Wu, Zong‐Jun Li, 2009 .

First principles study for the key electronic, optical and nonlinear optical properties of novel donor-acceptor chalcones.

A. Al‐Sehemi, Hong-liang Xu, A. Irfan, 2017, Journal of molecular graphics & modelling.

A Novel Acid-Controlled Second-Order Nonlinear Optical Switch Based on Dimethyldihydropyrene/Cyclophanediene Photoswitch

Yao Yao, Z. Su, Hong-liang Xu, 2022, Journal of Materials Chemistry C.

A greener catalyst for hydroboration of imines—external electric field modify the reaction mechanism

Hong-Liang Xu, Ming-Xia Zhang, Hong-liang Xu, 2019, J. Comput. Chem..

Second-order nonlinear optical property of carbon–boron–nitride heterostructure: Vertical carbon-segment into the BN nanosheet

Z. Su, Hong-liang Xu, Hongjin Qu, 2021 .

Quantum chemical study of benzimidazole derivatives to tune the second-order nonlinear optical molecular switching by proton abstraction.

M. Nadeem, Zhongmin Su, Muhammad Ramzan Saeed Ashraf Janjua, 2010, Physical chemistry chemical physics : PCCP.

The attractive isomers of 1,1′-bis(verdazyl)ferrocene diradical on structure-property relationship

Z. Su, Hong-liang Xu, Chang Sun, 2018 .

Hydrogen-bond-directed-linking solving transparence-efficiency tradeoff in nonlinear optical molecule.

Fang Ma, Dongsheng Bai, Hong-liang Xu, 2014, Journal of molecular graphics & modelling.

Role of Excess Electrons in Nonlinear Optical Response.

Hong-Liang Xu, Zhong-Min Su, Rong-Lin Zhong, 2015, The journal of physical chemistry letters.

Modulating the charge transfer of D-S-A molecules: structures and NLO properties.

Z. Su, Hong-liang Xu, Shiling Sun, 2015, The journal of physical chemistry. A.

Li doped effect of through novel noncovalent charge transfer on nonlinear optical properties

Z. Su, Hong-liang Xu, Shiling Sun, 2014 .

An accurate and efficient method to predict the electronic excitation energies of BODIPY fluorescent dyes

Jianan Wang, Zhongmin Su, Yun Geng, 2013, J. Comput. Chem..

NICS values scan in three-dimensional space of the hoop-shaped π-conjugated molecules [6]8cyclacene and [16]trannulene

Z. Su, Hong-liang Xu, Qing Li, 2018 .

External electric field: a new catalytic strategy for the anti-Markovnikov hydrohydrazination of parent hydrazine

Ziyan Zhou, Shuping Zhuo, Hong-liang Xu, 2021, RSC advances.

N-Methylbenzoaza-18-crown-6-ether derivatives as efficient alkali metal cations sensors: the dipole moment and first hyperpolarizability

Z. Su, Hong-liang Xu, Liang Zhao, 2014 .

The encapsulated lithium effect of Li@C60Cl8 remarkably enhances the static first hyperpolarizability

Z. Su, Xiumei Pan, Hong-liang Xu, 2013 .

Alkali metals doping into open-cage fullerenes: Novel alkalides (M+@C50N5H5)Mʹ− with large nonlinear optical responses

Liang Zhao, Zhongji Su, Di Kang, 2023, Journal of Molecular Liquids.

Quantum mechanical design and structure of the Li@B10H14 basket with a remarkably enhanced electro-optical response.

Hong-liang Xu, Zhongmin Su, S. Muhammad, 2009, Journal of the American Chemical Society.

Structures and large NLO responses of new electrides: Li-doped fluorocarbon chain.

Feng Long Gu, Yuriko Aoki, Hong-Liang Xu, 2007, Journal of the American Chemical Society.

A new type of organic-inorganic hybrid NLO-phore with large off-diagonal first hyperpolarizability tensors: a two-dimensional approach.

Y. Shigeta, M. Nakano, Hong-liang Xu, 2013, Dalton transactions.

The stability and nonlinear optical properties: Encapsulation of an excess electron compound LiCN⋯Li within boron nitride nanotubes

Z. Su, Hong-liang Xu, S. Muhammad, 2012 .

Switching of second-order nonlinear response effected by different acceptors: The impacts of environment and frequency dispersion

Hong-liang Xu, Yao Yao, Zhongmin Su, 2021 .

Probing the chemical functionalization of single-walled carbon nanotubes with multiple carbon ad-dimer defects.

Z. Su, Hong-liang Xu, S. Muhammad, 2012, Chemphyschem : a European journal of chemical physics and physical chemistry.

Structures and electro-optical properties of Möbius [n]Cyclacenes[13–18]: a theoretical study

Z. Su, Hong-liang Xu, Rong-Lin Zhong, 2014, Journal of Molecular Modeling.

Widening or Lengthening? Enhancing the First Hyperpolarizability of Tubiform Multilithium Salts

Z. Su, Hong-liang Xu, Rong-Lin Zhong, 2011 .

Alkali Metals-Substituted Adamantanes Lead to Visible Light Absorption: Large First Hyperpolarizability

Z. Su, Hong-liang Xu, Rong-Lin Zhong, 2014 .

Quantum chemical design of nonlinear optical materials by sp2-hybridized carbon nanomaterials: issues and opportunities

Ahmad Irfan, Abdullah G. Al-Sehemi, Shabbir Muhammad, 2013 .

Transition metals doped fullerenes: structures – NLO property relationships

Z. Su, Hong-liang Xu, Shuo Liu, 2018, Molecular Physics.

Connecting effect on the first hyperpolarizability of armchair carbon-boron-nitride heteronanotubes: pattern versus proportion.

Z. Su, Hong-liang Xu, Rong-Lin Zhong, 2016, Physical chemistry chemical physics : PCCP.

Effect of dehydrogenation/hydrogenation on the linear and nonlinear optical properties of Li@porphyrins

Z. Su, Hong-liang Xu, Rong-Lin Zhong, 2012, Journal of Molecular Modeling.

Quantum chemical investigation on the structure and first hyperpolarizability for N‐substituted [n]cyclacene

Z. Su, Likai Yan, Hong-liang Xu, 2012 .

N-(O-methoxyphenyl)aza-15-crown-5-ether derivatives: Highly efficient and wide range nonlinear optical response based cation recognition

Z. Su, Hong-liang Xu, Ali Muhammad Arif, 2020 .

Hydrogen Migration-Triggered Diradicaloid Singlet-Fission Switch.

Z. Su, Hong-liang Xu, Y. Kan, 2020, Journal of the American Chemical Society.

Searching for Diradicaloid Chromophores with Efficient Singlet Fission: Cyano‐Group Substitution of Difuropyrene Systems

Z. Su, Hong-liang Xu, Y. Kan, 2019, ChemPhotoChem.

Novel singlet fission chromophores: Boron/nitrogen para-substituted acenes

Hong-liang Xu, Men Zhang, Zhong-Min Su, 2024, Dyes and Pigments.

Novel Trumpet-Shaped Conjugation Bridge (Carbon Nanocone) for Nonlinear Optical Materials

Z. Su, Hong-liang Xu, Rong-Lin Zhong, 2011 .

Ab initio and density functional study on fullerene C44 and its derivatives

Z. Su, Hong-liang Xu, Donglai Wang, 2011 .

The excess electron in a boron nitride nanotube: pyramidal NBO charge distribution and remarkable first hyperpolarizability.

Z. Su, Hong-liang Xu, Y. Qiu, 2012, Chemistry.