Q. Xia

发表

Structures, luminescent properties and magnetic refrigeration of two series of Ln2III compounds

Q. Xia, Meng-Yao Feng, Dengxue Ma, 2019, Polyhedron.

DFT study on cooperativity in the interactions of hydrazoic acid clusters

Xue-Hai Ju, X. Gong, Heming Xiao, 2003 .

Coriolis coupling effects in the dynamics of the D(2S) + NH(X3Σ−) → N(4S) + HD(X1Σg+) reaction and its kinetic isotope effect

Q. Xia, Cuixia Yao, 2018, Journal of Mathematical Chemistry.

A Systematic Search for Structures and Stabilities of Asymmetric Clusters (HfInN3)n (n = 1-6)

Q. Xia, Dengxue Ma, D. Ma, 2018, Journal of Structural Chemistry.

Theoretical studies of the structures and properties of (Cl2InN3)n (n = 1–6) clusters

Q. Xia, Dengxue Ma, G. Ji, 2015, Russian Journal of Physical Chemistry A.

Theoretical studies of the structures and properties of (Br2InN3)n (n = 1–6) clusters

Q. Xia, Dengxue Ma, G. Ji, 2016, Structural Chemistry.

Computational design and structure-property relationship studies on (I2GaN3)n (n = 1–4) clusters

Q. Xia, Dengxue Ma, G. Ji, 2013, Russian Journal of Physical Chemistry A.

The molecular designs and properties of asymmetric heterocycles (HBrBN3)n (n = 1-4)

Q. Xia, Dengxue Ma, G. Ji, 2015, Journal of Structural Chemistry.

Theoretical study on the structures and properties of (Br2AlN3)n (n = 1–4) clusters

Q. Xia, Dengxue Ma, Wenwei Zhao, 2013, Journal of Structural Chemistry.

Density functional theory study on (F2AlN3)n (n = 1–4) clusters

Q. Xia, Dengxue Ma, Wenwei Zhao, 2012, Structural Chemistry.

Theoretical study on the structural, vibrational, and thermodynamic properties of the (Br2GaN3)n (n = 1–4) clusters

Q. Xia, Wenwei Zhao, Q. Lin, 2012, Journal of Molecular Modeling.

Theoretical investigation of AhR binding property with relevant structural requirements for AhR-mediated toxicity of polybrominated diphenyl ethers.

Cheng Sun, Q. Xia, Xing-lun Yang, 2020, Chemosphere.

Theoretical Study on Intermolecular Interactions of Methyl Azide Dimers

X. Gong, Heming Xiao, X. Ju, 2003 .

The cloud point phenomenon of ionic surfactants: A view from molecular dynamics and metadynamics simulation

Shiling Yuan, Q. Xia, Guokui Liu, 2018, Journal of Molecular Liquids.

Luminescence of F+ and F centers in AI2O3-Y2O3 oxide compounds

A. Mandowski, Q. Xia, M. Batentschuk, 2010 .

Comparative study of the luminescence of Al2O3:C and Al2O3 crystals under synchrotron radiation excitation

A. Mandowski, K. Fabisiak, Q. Xia, 2013 .

Luminescence of Al 2 O 3 : Ti and Al 2 O 3 single crystals

Q. Xia, J. Friedrich, M. Batentschuk, 2010 .

Theoretical Study on Intermolecular Interactions and Thermodynamic Properties of Difluoroamine Complex

Heming Xiao, X. Ju, Q. Xia, 2010 .

THEORETICAL STUDY OF THE STRUCTURES AND PROPERTIES OF (Cl2AlN3)n(n = 2–4) CLUSTERS

Q. Xia, Wenwei Zhao, D. Ma, 2012 .

Exploring relationship of the state of N-dodecyl betaine in the solution monomer, at the interface and in the micelle via configurational entropy

Shiling Yuan, Q. Xia, Guokui Liu, 2020 .

A density functional theory investigation of 1,1-diamino-2,2-dinitroethylene dimers and crystal

Heming Xiao, X. Ju, Q. Xia, 2003 .

Theoretical design of bistetrazole diolate derivatives as novel non-nitro energetic salts with low sensitivity

X. Ju, Q. Xia, Xiaoling Xing, 2018, Structural Chemistry.

The Excited State and Charge Transfer of Two Nonfullerene Acceptors from First-Principles Many-Body Green’s Function Theory

Q. Xia, Yunzhi Li, Guokui Liu, 2022, Journal of Chemistry.

Structures and properties of (H2GaN3)n (n = 1–4) clusters: A DFT study

X. Gong, Heming Xiao, X. Ju, 2004 .

A molecular dynamics study on the dependence of phase behaviors and structural properties of two-dimensional interfacial monolayer on surface area

Shiling Yuan, Q. Xia, Yaoyao Wei, 2018, Applied Surface Science.

Theoretical study of the effect of π-linkers on triarylamine-based p-type D-π-A sensitiser

X. Ju, Q. Xia, Chang-Shan Zhang, 2020, Molecular Simulation.

A molecular dynamics study combining with entropy calculation on the packing state of hydrophobic chains in micelle interior

Shiling Yuan, Q. Xia, Guokui Liu, 2019, Journal of Molecular Liquids.

A periodic DFT approach to octanitrocubane crystal

Heming Xiao, Xue-Hai Ju, Heming Xiao, 2003 .

Strain energies of cubane derivatives with different substituent groups.

Heming Xiao, X. Ju, Xiao‐Wei Fan, 2008, Journal of hazardous materials.

Time‐dependent density functional theory study on the absorption spectrum of Coumarin 102 and its hydrogen‐bonded complexes

Yihong Ding, Wenwei Zhao, Qiying Xia, 2011, J. Comput. Chem..

Molecular dynamics study on TOTO-based ionic liquids with different cations

Q. Xia, Yunzhi Li, Guokui Liu, 2021 .

Structures and properties of ionic crystals and condensed phase ionic liquids predicted with the generalized energy‐based fragmentation method

Shuhua Li, Wei Li, Q. Xia, 2022, J. Comput. Chem..

Comparison of Ethene Diffusion Characteristics in H[Al]ZSM-5 at 300 K and 400 K by Molecular Dynamics

X. Gong, Heming Xiao, Q. Xia, 2010 .

Molecular dynamics study on the aggregation behaviours of Platonic micelle in different NaCl solutions

Q. Xia, Guokui Liu, Yaoyao Wei, 2022, Journal of Molecular Liquids.

Theoretical Study of Effects of Anchoring Groups on Photovoltaic Properties of a Triarylamine-Based p-Type Sensitizer

X. Ju, Q. Xia, Su-qin Zhou, 2020, ACS omega.

Design of high performance p-type sensitizers with pyridinium derivatives as the acceptor by theoretical calculations

X. Ju, Q. Xia, Jiang Zhao, 2020, RSC advances.

A flowerlike FePt/MnO2/GOx-based cascade nanoreactor with sustainable O2 supply for synergistic starvation-chemodynamic anticancer therapy.

P. Cui, Qingyun Liu, Q. Xia, 2021, Journal of materials chemistry. B.

Effect of Nitrogen Cation as “Electron Trap” at π-Linker on Properties for p-Type Photosensitizers: DFT Study

X. Ju, Q. Xia, Jiang Zhao, 2019, Molecules.

DFT Calculations of Structure and Properties of Asymmetric Clusters (HClInN3)n (n = 1–6)

Q. Xia, Guokui Liu, D. Ma, 2018, Russian Journal of Physical Chemistry A.