Yanfei Hu

发表

Insights into the structures, stabilities, electronic and magnetic properties of X2Aun (X = La, Y, and Sc; n = 1–9) clusters: comparison with pure gold clusters

Hai-Rong Zhang, Yaru Zhao, R. Gao, 2017 .

Probing the structural and electronic properties of cationic rubidium–gold clusters: [AunRb]+ (n = 1–10)

Xuezhi Duan, Hai-Rong Zhang, Yaru Zhao, 2016 .

Prediction of HfB3 from first-principles calculations: crystal structures, stabilities, electronic properties and hardnesses

Meiguang Zhang, Gangtai Zhang, Yaru Zhao, 2018, Molecular Physics.

A Systematic Search for the Geometric Structures, Stabilities and Electronic Properties of Bimetallic CsAun(0,±1) Clusters

G. Jiang, Yaru Zhao, Yanfei Hu, 2020, Journal of the Korean Physical Society.

Density functional theory study of the structures and electronic properties of copper and sulfur doped copper clusters

Yu-quan Yuan, Yanan Tang, Yanfei Hu, 2016 .

Probing the Structural and Electronic Properties of Neutral and Anionic Lanthanum-Doped Silicon Clusters

W. Xin, Xiaoming Zheng, Tingfang Bai, 2019, The Journal of Physical Chemistry C.

Density functional theory study of small X-doped Mgn (X = Fe, Co, Ni, n = 1–9) bimetallic clusters: equilibrium structures, stabilities, electronic and magnetic properties

Yanfei Hu, F. Kong, 2014, Journal of Molecular Modeling.

Probing the structural and electronic properties of neutral and anionic strontium-doped magnesium clusters

Junsong Yuan, Yu-quan Yuan, Yu Yang, 2021 .

The geometric structures, stabilities, and electronic properties of bimetallic Rb2Aun (n = 1–10) clusters: A density functional theory study

Yu-quan Yuan, Yanfei Hu, Su-Juan Wang, 2013 .

A density functional investigation on the structures, electronic, spectral and fluxional properties of VB20- cluster

Huijian Li, Gao Zhao, Yanfei Hu, 2021 .

Detoxification of aflatoxins on prospective approach: effect on structural, mechanical, and optical properties under pressures

S. Gurudeeban, G. Ji, D. Wei, 2018, Interdisciplinary Sciences: Computational Life Sciences.

A New Superhard Phase and Physical Properties of ZrB3 from First-Principles Calculations

Tingting Bai, Gangtai Zhang, Yanfei Hu, 2016, Materials.

First-principles investigation on crystal structure and physical properties of HfB4

Tingting Bai, Gangtai Zhang, R. Gao, 2017 .

Crystal Structure and Physical Properties of HfB4 via First-Principles Calculations

Tingting Bai, Gangtai Zhang, R. Gao, 2017 .

A comparative study of CunX (X = Sc, Y; n = 1–10) clusters based on the structures, and electronic and aromatic properties

Yanfei Hu, Chenggang Li, Jin-Hai Gao, 2019, New Journal of Chemistry.

Ab initio calculation of geometries, stabilities, and electronic properties for bimetallic Cs2-doped gold clusters: comparison with pure gold clusters

G. Jiang, Yanfei Hu, D. Meng, 2012 .

Density-functional theory study of the geometries, stabilities, and electronic properties of Au n Rb (n = 1–10) clusters: comparison with pure gold clusters

G. Jiang, Yanfei Hu, D. Meng, 2012 .

Probing the structural evolution and electronic properties of divalent metal Be2Mgn clusters from small to medium-size

Xiaoyi Zhang, W. Xin, Hai-Rong Zhang, 2020, Scientific Reports.

Thermoelectric and thermodynamic properties of half-Heulser alloy YPdSb from first principles calculations

Bao-lin Wang, Yanfei Hu, Lili Wang, 2012 .

Structures, stabilities and electronic properties of boron-doped silicon clusters B3Sin (n=1–17) and their anions

Yanfei Hu, Chenggang Li, Wancang Song, 2018, Molecular Physics.

Probing the structural and electronic properties of divalent metal Mg n+1 and SrMg n (n=2-12) clusters and their anions

Yanfei Hu, Junjie Yuan, Qingyang Li, 2021 .

Structural and thermodynamic properties of WB at high pressure and high temperature

F. Peng, Yan Bi, G. Ji, 2012 .

Exploring the structural evolution and electronic properties of medium-sized barium doped magnesium clusters

Yu-quan Yuan, Yanfei Hu, Jing Yang, 2021, Journal of Molecular Structure.

Structural and electronic properties of neutral and anionic magnesium clusters doped with two barium atoms

Jie Yang, Yu-quan Yuan, Yanfei Hu, 2021, Journal of Molecular Liquids.

Computational Studies on the ScnNm (n + m=10) Clusters: Structure, Electronic and Vibrational Properties

Yanfei Hu, Chenggang Li, Bao-zeng Ren, 2018, Journal of Cluster Science.

Structural, elastic and thermodynamic properties of anti-ReO3 type Cu3N under pressure from first principles

Bao-lin Wang, Yanfei Hu, Yanzong Wang, 2012 .

Geometrical Structures and Electronic Properties of Ga6 and Ga5X (X = B, C, N, O, F, Al, Si, P, S, Cl) Clusters

G. Ji, Jiaonan Yuan, Wei-Sen Xu, 2018, Materials.

Insights into the structures and electronic properties of Cun+1μ and CunSμ (n = 1–12; μ = 0, ±1) clusters

Weiguang Chen, Yanan Tang, Yanfei Hu, 2017, Scientific Reports.

Structures, stabilities and electronic properties of the bimetal V2-doped Sin (n = 1–10) clusters: a density functional investigation

Weiguang Chen, Wenjing Li, Yanfei Hu, 2020, The European Physical Journal D.

Density functional theory calculations insight to the effect of anion on the nonlinear optical properties of LiInX2 (X = S, Se)

Yanfei Hu, F. Hu, H. Hou, 2014, Journal of Molecular Modeling.

Analysis of the structures, stabilities and electronic properties of MB16− (M = V, Cr, Mn, Fe, Co, Ni) clusters and assemblies

Yanfei Hu, Chenggang Li, Z. Shen, 2020 .