Dan Hong

发表

First-principles calculations of structural, mechanical and electronic properties of TiNi-X (X=C, Si, Ge, Sn, Pb) alloys

B. Tang, Qi-jun Liu, Fu-sheng Liu, 2019, International Journal of Modern Physics B.

The Raman and IR vibration modes of metal pentazolate hydrates [Na(H2O)(N5)]·2H2O and [Mg(H2O)6(N5)2]·4H2O

B. Tang, Qi-jun Liu, Fu-sheng Liu, 2020, Journal of Molecular Modeling.

The micro-wear mechanism of diamond during diamond tool fly-cutting KDP (KH2PO4) from first principle calculations

B. Tang, Qi-jun Liu, Wei Zeng, 2020, Journal of Molecular Modeling.

Effects of electric fields along different directions on the sensitivity and decomposition of TKX-50

Z. Liu, Weizhen Zeng, Qi-jun Liu, 2022, Journal of Physics and Chemistry of Solids.

First-principle calculations of the structural, vibrational, mechanical, electronic, and optical properties of ε-O8 under pressure

Z. Liu, Qi-jun Liu, Dan Hong, 2022, Journal of Molecular Modeling.

Response of the structure and vibrational modes of nitromethane to pressure

Z. Liu, Qi-jun Liu, Fu-sheng Liu, 2022, Materials Today Communications.

High-pressure induced structural changes of energetic ionic salts: Dihydroxylammonium 3,3’-dinitro-5,5’-bis-1,2,4-triazole-1,1’-diolate (MAD-X1)

Z. Liu, Kun Zhang, Qi-jun Liu, 2022, Chemical Physics.

The structural, mechanical and electronic properties of Ti–Al-based compounds by first-principles calculations

Qi-jun Liu, Dan Hong, Dai-He Fan, 2022, Journal of Molecular Modeling.

The comparative study of structural, electronic, and optical properties of hydrogen peroxide and its dihydrate under pressures: first-principle calculations

Zheng-tang Liu, Kun Zhang, Qi-jun Liu, 2022, Journal of Molecular Modeling.

Mechanical and electronic properties of Ti-7333 alloy under tension: First-principles calculations

B. Tang, Qi-jun Liu, Fu-sheng Liu, 2020 .

Structural, electronic, elastic and mechanical properties of NbC-based compounds: First-principles calculations

B. Tang, Qi-jun Liu, Fu-sheng Liu, 2019, Physica B: Condensed Matter.

The structural, mechanical and electronic properties of NbXSi (X=Fe, Co, Ni, Ru, Rh, Pd, Os, Ir and Pt) compounds from first-principles calculations

B. Tang, Qi-jun Liu, Fu-sheng Liu, 2021 .

Structural, electronic properties and boron stability of (001) surface of Nb5Si3 intermetallic by first-principles calculations

B. Tang, Qi-jun Liu, Fu-sheng Liu, 2020 .

Structural, mechanical and electronic properties of orthorhombic Nb2X4Si5 (X=V, Nb, Ta, Cr, Mo, W) compounds from first-principles calculations

Z. Liu, Weizhen Zeng, Qi-jun Liu, 2023, Computational Condensed Matter.

Vibrational, thermodynamic, and dielectric properties of ε-CL-20: first-principles calculations

B. Tang, Qi-jun Liu, Fu-sheng Liu, 2020, Journal of Molecular Modeling.

The Effects of Fe and Si Elements on Structural, Mechanical, and Electronic Properties of an Fe–Si–Ti System by First‐Principles Calculations

B. Tang, Yi Su, Qi-jun Liu, 2019, physica status solidi (b).

Influences of Vacancy Concentration and Al Substitution on Structural, Electronic, and Elastic Properties of Nb5Si3 from First‐Principles Calculations

Weizhen Zeng, B. Tang, Qi-jun Liu, 2021, physica status solidi (b).

The study of spectroscopy and vibrational assignments of high nitrogen material 1,1′-azobis-1,2,3-triazole

Zheng-tang Liu, Wen-jin Zhang, Qi-jun Liu, 2021, Journal of Molecular Modeling.

Density functional theory study on the electronic and photocatalytic properties of different phases for Ba2BiTaO6

B. Tang, Qi-jun Liu, Wei Zeng, 2021, Journal of Solid State Chemistry.

Surface Segregation of NbAl3 Alloys by Boron Doping

B. Tang, Qi-jun Liu, Dan Hong, 2018, physica status solidi (RRL) - Rapid Research Letters.

Initial Decomposition of DATB Induced by an External Electric Field.

Z. Liu, Weizhen Zeng, Qi-jun Liu, 2023, The journal of physical chemistry. A.