J. Guan

发表

An Effective Approach to Achieve a Spin Gapless Semiconductor–Half‐Metal–Metal Transition in Zigzag Graphene Nanoribbons: Attaching A Floating Induced Dipole Field via π–π Interactions

Wei Chen, Xuri Huang, Chia-Chung Sun, 2013 .

Comparative insight into electronic properties and reactivities toward C-H bond activation by iron(IV)-nitrido, iron(IV)-oxo, and iron(IV)-sulfido complexes: a theoretical investigation.

Xuri Huang, Huiling Liu, Hao Tang, 2013, Inorganic chemistry.

Nickel Fluorocarbene Metathesis with Fluoroalkenes.

M. Hall, B. Gabidullin, R. Baker, 2018, Angewandte Chemie.

Probing the Carbon-Hydrogen Activation of Alkanes Following Photolysis of Tp'Rh(CNR)(carbodiimide): A Computational and Time-Resolved Infrared Spectroscopic Study.

M. W. George, M. Towrie, E. Brothers, 2017, Journal of the American Chemical Society.

Understanding the Radical Nature of an Oxidized Ruthenium Tris(thiolate) Complex and Its Role in the Chemistry.

Hao Tang, M. Hall, J. Guan, 2015, Journal of the American Chemical Society.

Recent computational studies on transition‐metal carbon–hydrogen bond activation of alkanes

S. Zarić, M. Hall, J. Guan, 2018 .

Lithium and sodium diffusion in solid electrolyte materials of AM 2 (PO 4 ) 3 ( A = Li, Na, M = Ti, Sn and Zr )

Zhiguo Wang, J. Guan, L. Jing, 2014 .

Molecular charge transfer via π–π interaction: an effective approach to realize the half-metallicity and spin-gapless-semiconductor in zigzag graphene nanoribbon

Xuri Huang, Yuanhui Sun, Guangtao Yu, 2015 .

Successive hydrogenation starting from the edge(s): an effective approach to fine-tune the electronic and magnetic behaviors of SiC nanoribbons

Xuri Huang, Guangtao Yu, Wei Chen, 2012 .

The effects of the formation of Stone-Wales defects on the electronic and magnetic properties of silicon carbide nanoribbons: a first-principles investigation.

Wei Chen, Xuri Huang, Zhiming Shi, 2013, Chemphyschem : a European journal of chemical physics and physical chemistry.

Molecular charge transfer by adsorbing TCNQ/TTF molecules via π-π interaction: a simple and effective strategy to modulate the electronic and magnetic behaviors of zigzag SiC nanoribbons.

Xuri Huang, Yuanhui Sun, Hui Zhang, 2015, Physical chemistry chemical physics : PCCP.

Comparison of tetragonal and cubic tin as anode for Mg ion batteries.

Y. L. Zhou, Zhiguo Wang, H. Deng, 2014, ACS applied materials & interfaces.

Structure and electronic properties of transition metal dichalcogenide MX2 (M = Mo, W, Nb; X = S, Se) monolayers with grain boundaries

Zhiguo Wang, H. Deng, Yungang Zhou, 2014 .

Analysis of an alternative to the H-atom abstraction mechanism in methane C-H bond activation by nonheme iron(IV)-oxo oxidants.

Xuri Huang, Huiling Liu, Hao Tang, 2013, Dalton transactions.

The effect of the axial ligand on distinct reaction tunneling for methane hydroxylation by nonheme iron(IV)-oxo complexes.

Xuri Huang, Huiling Liu, Hao Tang, 2012, Physical chemistry chemical physics : PCCP.

Ab initio calculations of Na and Ni diffusion in NaNi1/2Mn1/2O2 and NaNi1/3Mn1/3Co1/3O2 for Na-ion batteries

Y. L. Zhou, Zhiguo Wang, J. Guan, 2014 .

A first-principles investigation on the effect of the divacancy defect on the band structures of boron nitride (BN) nanoribbons

Xuri Huang, Hui Zhang, Guangtao Yu, 2015 .

Intermediate-Temperature Oxidation of Fe-Cr-Ni-Mo Stainless Maraging Steel in Air

J. An, J. Guan, X. Lv, 2013 .

Analysis of an alternative to the H-atom abstraction mechanism in methane C-H bond activation by nonheme iron(IV)-oxo oxidants.

Xuri Huang, Huiling Liu, Hao Tang, 2013, Dalton transactions.