X. Gong

发表

Theoretical investigations on structure, density, detonation properties, and sensitivity of the derivatives of PYX

Hui Liu, Fang Wang, Gui-Xiang Wang, 2012, J. Comput. Chem..

Theoretical study of the structures and properties of cyclic nitramines: Tetranitrotetraazadecalin (TNAD) and its isomers

X. Gong, Heming Xiao, X. Ju, 2005 .

Theoretical studies on the vibrational spectra, thermodynamic properties, detonation properties, and pyrolysis mechanisms for polynitroadamantanes.

X. Gong, Xiao Xu, Heming Xiao, 2005, The journal of physical chemistry. A.

Theoretical studies on the structures, thermodynamic properties, detonation properties, and pyrolysis mechanisms of spiro nitramines.

X. Gong, Heming Xiao, X. Ju, 2006, The journal of physical chemistry. A.

Computational studies on polynitrohexaazaadmantanes as potential high energy density materials.

X. Gong, Heming Xiao, X. Ju, 2006, The journal of physical chemistry. A.

Looking for high energy density compounds applicable for propellant among the derivatives of dpo with n3, ono2, and nno2 groups

Yan Liu, Gui-Xiang Wang, Xue-Dong Gong, 2011, J. Comput. Chem..

Crystal density predictions for nitramines based on quantum chemistry.

X. Gong, Heming Xiao, X. Ju, 2007, Journal of hazardous materials.

Theoretical investigation on density, detonation properties, and pyrolysis mechanism of nitro derivatives of benzene and aminobenzenes

Guixiang Wang, X. Gong, Heming Xiao, 2009 .

A theoretical study on the structure and properties of DPO (2,5-dipicryl-1,3,4-oxadiazole)

Guixiang Wang, X. Gong, Heming Xiao, 2008 .

Looking for high energy density compounds among 1,3-bishomopentaprismane derivatives with CN, NC, and ONO(2) groups.

Guixiang Wang, X. Gong, Heming Xiao, 2009, The journal of physical chemistry. A.

Packing structures and periodic band calculations on DPO (2,5-dipicryl-1,3,4-oxadiazole).

Guixiang Wang, X. Gong, Heming Xiao, 2009, Journal of hazardous materials.

DFT study on cooperativity in the interactions of hydrazoic acid clusters

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

UPLC-Q-TOF/MS-based untargeted metabolomics coupled with chemometrics approach for Tieguanyin tea with seasonal and year variations.

X. Gong, Haiyan Fu, Ou Hu, 2019, Food chemistry.

Design of pH-Responsive Dissociable Nanosystem Based on Carbon Dots with Enhanced Anti-biofilm Property and Excellent Biocompatibility.

X. Gong, X. Xing, Shuai Liu, 2020, ACS applied bio materials.

A density functional theory study on the structure and properties of the tert-butyl substituted phthalocyanines

H. Tian, X. Gong, Heming Xiao, 2002 .

A theoretical prediction of thermodynamic properties of chlorine fluorides

Hui Liu, X. Gong, Yan Liu, 2011 .

A density functional theory study of the structure and properties of the substituted subphthalocyanines

H. Tian, X. Gong, Heming Xiao, 2002 .

Comparative studies on the structures, infrared spectrum, and thermodynamic properties of phthalocyanine using ab initio Hartree-Fock and density functional theory methods

H. Tian, X. Gong, Heming Xiao, 2002 .

Theoretical studies on the stability of salts formed by 3-substituted 6-nitraminotetrazines with different cations

X. Gong, Xueli Zhang, Junqing Yang, 2014, Journal of Molecular Modeling.

Theoretical investigation of solvent effects on tautomeric equilibrium of 2‐diazo‐4,6‐dinitrophenol

Guixiang Wang, X. Gong, Heming Xiao, 2011 .

Theoretical studies on the structures, densities, detonation properties and pyrolysis mechanism of energetic compounds containing pyridine ring

Hui Liu, Guixiang Wang, X. Gong, 2012, Structural Chemistry.

A theoretical study on the structure and hygroscopicity of ammonium dinitramide

Hui Liu, X. Gong, Fang Wang, 2013, Structural Chemistry.

DFT studies on 7-nitrotetrazolo [1,5]furazano[4,5-b]pyridine 1-oxide: crystal structure, detonation properties, sensitivity and effect of hydrostatic compression

Hui Liu, X. Gong, Fang Wang, 2014, Structural Chemistry.

Exploring Host–Guest Complexation Mechanisms by a Molecular Dynamics/Quantum Mechanics/Continuum Solvent Model Approach

Chung F. Wong, X. Gong, Weihua Tang, 2016 .

Theoretical studies on 2-diazo-4,6-dinitrophenol derivatives aimed at finding superior propellants

Guixiang Wang, X. Gong, Yan Liu, 2012, Journal of Molecular Modeling.

QSPR modeling of detonation parameters and sensitivity of some energetic materials: DFT vs. PM3 calculations

X. Gong, Jian-ying Zhang, Gangling Chen, 2017, Journal of Molecular Modeling.

Surface chemistry-dependent antibacterial and antibiofilm activities of polyamine-functionalized carbon quantum dots

X. Gong, X. Xing, Weiwei Cao, 2020, Journal of Materials Science.

Theoretical studies on the stability of phenylpentazole and its substituted derivatives of –OH, –OCH3, –OC2H5 and –N(CH3)2

X. Gong, Ming Lu, Xueli Zhang, 2014 .

The Molecular Structure and Spectral Characteristics of Heavy Metal Chelating Agent of H 3 TMT and Its Complex ( HgMe ) 3 TMT with CH 3 HgCl

X. Gong, Fengyun Wang, Feng-he Wang, 2022 .

Ab initio Study on the Intermolecular Interaction and Thermodynamic Properties of Methyl Nitrate Dimer

X. Gong, Heming Xiao, Jin-shan Li, 2010 .

Microencapsulation thermodynamics of methylated β-cyclodextrins with bile salt: enthalpy, entropy, and solvent effect

X. Gong, Fanzhi Meng, Baojing Zhou, 2017, Journal of Inclusion Phenomena and Macrocyclic Chemistry.

Computational investigations into the substituent effects of –N3, –NF2, –NO2, and –NH2 on the structure, sensitivity and detonation properties of N, N′-azobis(1, 2, 4-triazole)

Guixiang Wang, X. Gong, Hua Yan, 2014, Journal of Molecular Modeling.

An ab initio simulation of the UV/Visible spectra of substituted chalcones

X. Gong, Yunsheng Xue, Yi Liu, 2010 .

Substituent effects on the properties related to detonation performance and sensitivity for 2,2',4,4',6,6'-hexanitroazobenzene derivatives.

Guixiang Wang, X. Gong, Heming Xiao, 2011, The journal of physical chemistry. A.

Structure, stability and intramolecular interaction of M(N5)2 (M = Mg, Ca, Sr and Ba) : a theoretical study

X. Gong, Ming Lu, Xueli Zhang, 2015 .

DFT Studies on a Series of Nitramines Containing Pyridine Ring

Hui Liu, X. Gong, 2014 .

Theoretical studies on the structures, densities, detonation properties and thermal stability of 2,4,6-trinitropyridine N-oxide (TNPyO) and its derivatives

Guixiang Wang, X. Gong, Fang Wang, 2013 .

A DFT study of cage compounds: 3, 5, 8, 10, 11, 12-hexanitro-3, 5, 8, 10, 11, 12-hexaazatetracyclo [5.5.1.12,6.04,9] dodecane and its derivatives as high energetic materials

X. Gong, Fang Wang, Jian-ying Zhang, 2013, Structural Chemistry.

Comparative theoretical studies of substituted bridged bipyridines and their N-oxides

Hui Liu, X. Gong, 2013, Structural Chemistry.

Carbon dots derived from folic acid as an ultra-succinct smart antimicrobial nanosystem for selective killing of S. aureus and biofilm eradication

X. Gong, X. Xing, Ruobing Huang, 2022, Carbon.

A theoretical study on the reaction mechanism of O2 with C4H9• radical

X. Gong, Hong-Chen Du, 2012, Journal of Molecular Modeling.

A theoretical study on the stability and intramolecular interaction in 5-nitrotetrazolates with the DFT and DFT-D methods

Guixiang Wang, X. Gong, Junqing Yang, 2014 .

Effect of trimethylsilyl substitution on the structure and properties of phthalocyanine: A density functional theory study

H. Tian, X. Gong, Heming Xiao, 2002 .

Cytocompatible Amphipathic Carbon Quantum Dots as Potent Membrane-Active Antibacterial Agents with Low Drug Resistance and Effective Inhibition of Biofilm Formation.

X. Gong, X. Xing, Peili Li, 2022, ACS applied bio materials.

A Theoretical Study of Polyethylene Glycol Polynitrates as Potential Highly Energetic Plasticizers for Propellants

Guixiang Wang, X. Gong, Wenjing Zhang, 2019, Central European Journal of Energetic Materials.

Theoretical study on polyglycerine polynitrates for potential high-energy plasticizers of propellants

Guixiang Wang, X. Gong, Wenjing Zhang, 2019, Canadian Journal of Chemistry.

Low-toxicity carbon quantum dots derived from gentamicin sulfate to combat antibiotic resistance and eradicate mature biofilms.

X. Gong, X. Xing, Shuai Liu, 2020, Chemical communications.

Bacterial cellulose whisker as a reinforcing filler for carboxylated acrylonitrile-butadiene rubber

X. Gong, Yang Huang, Dongping Sun, 2014, Journal of Materials Science.

A DFT-D study on the stability and intramolecular interactions of the energetic salts of 3,6-dihydrazido-1,2,4,5-tetrazine

X. Gong, Xueli Zhang, 2016 .

Screening nitrogen-rich bases and oxygen-rich acids by theoretical calculations for forming highly stable salts.

X. Gong, Xueli Zhang, 2014, Chemphyschem : a European journal of chemical physics and physical chemistry.

Exploring highly energetic aliphatic azido nitramines for plasticizers

X. Gong, Pin Gao, Xueli Zhang, 2014 .

Origins of Salt Formation and Cocrystallization: A Combined Experimental and Theoretical Study

X. Gong, Jianguo Zhang, V. P. Sinditskii, 2020 .

The conformational, electronic and spectral properties of chalcones: A density functional theory study

X. Gong, Yunsheng Xue, 2009 .

Theoretical Study on Intermolecular Interactions of Methyl Azide Dimers

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

A Method Suitable for Predicting the Crystal Densities of Cyclic Organic Fluorides

Guixiang Wang, X. Gong, Yan Liu, 2020 .

A simple, fast and convenient new method for predicting the stability of nitro compounds

Xueli Zhang, Xuedong Gong, X. Gong, 2015, Journal of Computer-Aided Molecular Design.

High-pressure studies on azido-tetrazole chain–ring conversion in crystalline 2-azido-4,6-dichloro-1,3,5-triazine

Guixiang Wang, X. Gong, Yan Liu, 2012, Theoretical Chemistry Accounts.

Compatibility and mechanical properties of BAMO–AMMO/DIANP composites: A molecular dynamics simulation

Guixiang Wang, X. Gong, Junqing Yang, 2015 .

First-Principle Studies on the Pressure-Induced Structural Changes in Energetic Ionic Salt 3-Azido-1,2,4-triazolium Nitrate Crystal

Guixiang Wang, X. Gong, Yan Liu, 2012 .

Theoretical Insight into the Structure, Energetic Property and Thermal Stability of C6N6H12 Cages

J. Zhang, X. Gong, G. Chen, 2017 .

Computer simulations and analysis of structural and energetic features of crystalline cage energetic compound: 2, 4, 6, 8, 12-pentanitro-10-(3, 5, 6-trinitro (2-pyridyl))-2, 4, 6, 8, 12-hexaazatetracyclo [5.5.0.03,11.05,9]dodecane

X. Gong, Jian-ying Zhang, 2015 .

Theoretical studies on the structures, intra- and inter-molecular hydrogen bonding interactions in HNF and HNF–H2O clusters in the gaseous, aqueous and solid phases

X. Gong, Xueli Zhang, 2015 .

A theoretical study on the structure, intramolecular interactions, and detonation performance of hydrazinium dinitramide.

X. Gong, Yan Liu, F. Wang, 2014, Chemistry, an Asian journal.

Theoretical studies on the stability, detonation performance and possibility of synthesis of the nitro derivatives of epoxyethane

X. Gong, Xueli Zhang, 2014, Journal of Molecular Modeling.

A theoretical study on the stability and detonation performance of 2,2,3,3-tetranitroaziridine (TNAD)

X. Gong, Tianyi Wang, Xueli Zhang, 2014 .

Theoretical Studies on Electronic Structure and Absorption Spectrum of Prototypical Technetium-Diphosphonate Complex 99m Tc-MDP

X. Gong, X. Ju, L. Qiu, 2011 .

Theoretical studies on stability and pyrolysis mechanism of salts formed by N5− and metallic cations Na+, Fe2+ and Ni2+

X. Gong, Ming Lu, Xueli Zhang, 2015, Structural Chemistry.

A study of the solvent effect on the crystal morphology of hexogen by means of molecular dynamics simulations

X. Gong, Wu Lei, Mingzhu Xia, 2015 .

Prediction of crystal morphology of cyclotrimethylene trinitramine in the solvent medium by computer simulation: a case of cyclohexanone solvent.

X. Gong, Wu Lei, Mingzhu Xia, 2014, The journal of physical chemistry. A.

Molecular dynamics simulation of interaction between benzotriazoles and cuprous oxide crystal

X. Gong, Jian-ying Zhang, Jian-ping Zeng, 2011 .

Molecular modeling of several phosphonates onto the stepped calcite (011) surface

X. Gong, Wu Lei, Mingzhu Xia, 2013 .

Determination of 21 free amino acids in 5 types of tea by ultra-high performance liquid chromatography coupled with tandem mass spectrometry (UHPLC–MS/MS) using a modified 6-aminoquinolyl-N-hydroxysuccinimidyl carbamate (AQC) method

Ying Wang, Feng Zhao, Xuedong Gong, 2019, Journal of Food Composition and Analysis.

Theoretical Study on the High Energy Density Compound Hexanitrohexaazatricyclotetradecanedifuroxan

X. Gong, Heming Xiao, L. Qiu, 2006 .

High-Energy Nitramine Explosives: A Design Strategy from Linear to Cyclic to Caged Molecules

Guixiang Wang, X. Gong, Y. A. Wang, 2018, ACS omega.

A computational study on the photoelectric properties of various Bi2O3 polymorphs as visible-light driven photocatalysts

X. Gong, K. Cao, F. Wang, 2014, Journal of Molecular Modeling.

Low-drug resistance carbon quantum dots decorated injectable self-healing hydrogel with potent antibiofilm property and cutaneous wound healing

X. Gong, X. Xing, Shuai Liu, 2021 .

A study of the solvent effect on the morphology of RDX crystal by molecular modeling method

X. Gong, Wu Lei, Mingzhu Xia, 2013, Journal of Molecular Modeling.

A theoretical study of the structure–radical scavenging activity of hydroxychalcones

X. Gong, Dingyi Yu, Yunsheng Xue, 2012 .

Molecular dynamics simulation of the interaction between polyaspartic acid and calcium carbonate

X. Gong, Feng-he Wang, Jian-ping Zeng, 2013 .

A theoretical prediction of the molecular and electronic structures, thermodynamic properties, and stability of 1,3-diazido-2-methyl-2-nitropropane (DAMNP)

Guixiang Wang, X. Gong, Hua Yan, 2014, Structural Chemistry.

2,4-Diazido-5-iodo-pyrimidine crystal under high pressure: A comparison of DFT and DFT-D studies

Guixiang Wang, X. Gong, Yan Liu, 2012 .

Theoretical studies on a new series of 1,2,3,4-tetrazine 1,3-dioxide annulation with an imidazole ring or oxazole ring

X. Gong, Mingzhu Xia, Fengyun Wang, 2019, Journal of Molecular Modeling.

Theoretical studies of the structure, stability, and detonation properties of vicinal-tetrazine 1,3-dioxide annulated with a five-membered heterocycle. 1. Annulation with a triazole ring

X. Gong, Yan Liu, Mingzhu Xia, 2015, Journal of Molecular Modeling.

Theoretical studies of the structure, stability, and detonation properties of vicinal-tetrazine 1,3-dioxide annulated with a five-membered heterocycle. 2. Annulation with a pyrazole ring

X. Gong, Mingzhu Xia, Tianyi Wang, 2015, Journal of Molecular Modeling.

DFT Study on Nitration Mechanism of Benzene with Nitronium Ion

Litao Chen, X. Gong, Heming Xiao, 2003 .

Effect of Hydrostatic Compression on Structure and Properties of 2-Diazo-4,6- Dinitrophenol Crystal: Density Functional Theory Studies

Guixiang Wang, X. Gong, Yan Liu, 2011 .

Synthesis and Quantum Chemical Studies of New 4‐aminoquinazoline Derivatives as Aurora A/B Kinase Inhibitors

X. Gong, N. Gu, Min Ji, 2013, Chemical biology & drug design.

Ab initio study of solvent effects on the structure and vibrational frequencies of methyl nitrate

X. Gong, Heming Xiao, 1998 .

DENSITY FUNCTIONAL THEORY STUDY OF THE INTERACTION BETWEEN 3-NITRO-1,2,4-TRIAZOLE-5-ONE AND WATER

X. Gong, Heming Xiao, X. Ju, 2005 .

Ab initio and density functional methods studies on the conformations and thermodynamic properties of propyl nitrate

X. Gong, Heming Xiao, 2000 .

Ab initio studies of molecular geometries, electronic structures and infrared spectra of the substituted derivatives of methyl nitrate

X. Gong, Heming Xiao, 1999 .

Theoretical studies on the heats of formation, detonation properties, and pyrolysis mechanisms of energetic cyclic nitramines.

Guixiang Wang, X. Gong, F. Wang, 2011, The journal of physical chemistry. A.

A multi-element stable isotope approach coupled with chemometrics for the determination of Tieguanyin tea geographical origin and harvest season

X. Gong, Z. Wang, Peng Zhou, 2019, Analytical Methods.

Utilization of silane functionalized carbon nanotubes-silica hybrids as novel reinforcing fillers for solution styrene butadiene rubber

X. Gong, Xiang Fei, L. Ding, 2013 .

The mechanism of carbon–silica dual phase filler modified by ionic liquid and its reinforcing on natural rubber

X. Gong, L. Ding, Xinchen Xiong, 2015 .

Theoretical studies on the plasticizing effect of DIANP on NC with various esterification degrees

Guixiang Wang, X. Gong, Junqing Yang, 2014 .

Molecular dynamics and dissipative particle dynamics simulations of the miscibility and mechanical properties of GAP/DIANP blending systems

X. Gong, Pin Gao, Xueli Zhang, 2014 .

Molecular Dynamics Study of Interaction between Acrylamide Copolymers and Alumina Crystal

X. Gong, Fengyun Wang, Fenghe Wang, 2012 .

Enhancements of the mechanical properties and thermal conductivity of carboxylated acrylonitrile butadiene rubber with the addition of graphene oxide

X. Gong, Yi Sun, L. Ding, 2013, Journal of Materials Science.

Comparative theoretical studies of high pressure effect on polymorph I of 2,2′,4,4′,6,6′-hexanitroazobenzene crystal

Guixiang Wang, X. Gong, Yan Liu, 2012, Structural Chemistry.

Theoretical studies on polynitro-1,3-bishomopentaprismanes as potential high energy density compounds.

X. Gong, Heming Xiao, Jian Zheng, 2009, Journal of hazardous materials.

A DFT study on the structure and radical scavenging activity of newly synthesized hydroxychalcones

X. Gong, Yanli Li, Dingyi Yu, 2013 .

Theoretical studies on a new furazan compound bis[4-nitramino-furazanyl-3-azoxy]azofurazan (ADNAAF)

X. Gong, Wu Lei, Mingzhu Xia, 2016, Journal of Molecular Modeling.

Theoretical Studies on the Energetic Salts of Substituted 3,3′-Amino-N,N′-azo-1,2,4-triazoles: The Role of Functional Groups

X. Gong, Xueli Zhang, 2015 .

Structure, aromaticity, stability, and energetic performance of the analogues and derivatives of s-heptazine

Guixiang Wang, X. Gong, Junqing Yang, 2014, Journal of Molecular Modeling.

Synthesis of a bi-heterocyclic skeleton with high HOF and corresponding energetic salts with high heat of detonation

X. Gong, Xiangyang Lin, Jun Yang, 2020 .

Synthesis and performance study of methylene-bridged bis(nitramino-1,2,4-oxadiazole) and its energetic salts

X. Gong, Xiangyang Lin, Jun Yang, 2019, New Journal of Chemistry.

Synthesis and properties of 5,5′-dinitramino-3,3′-bi(1,2,4-oxadiazole) and its energetic salts

X. Gong, Xiangyang Lin, Jun Yang, 2018 .

DFT calculations on three novel compounds containing N12, N14 and N16 chains: DPyTD, DTrTD and DTeTD

X. Gong, Xueli Zhang, 2015 .

Theoretical studies on vicinal-tetrazine compounds: furoxano-1,2,3,4-tetrazine-1,3,5-trioxide (FTTO-α) and furoxano-1,2,3,4-tetrazine-1,3,7-trioxide (FTTO-β)

X. Gong, Mingzhu Xia, Tao Zhang, 2014, Journal of Molecular Modeling.

Theoretical studies on a new high energy density compound 6-amino-7-nitropyrazino[2,3-e][1,2,3,4]tetrazine 1,3,5-trioxide (ANPTTO)

X. Gong, Mingzhu Xia, Tianyi Wang, 2014, Journal of Molecular Modeling.

Vibrational and Thermodynamic Properties of 2,2′,4,4′,6,6′‐Hexanitroazobenzene and Its Derivatives: A Density Functional Theory Study

Guixiang Wang, X. Gong, Heming Xiao, 2010 .

Theoretical study on tetrazole and its derivatives (I)

X. Gong, Heming Xiao, Zhaoxu Chen, 1998 .

Screening for potential energetic C–N cages with high energy and good stability: a theoretical comparative study

X. Gong, Jian-ying Zhang, Gangling Chen, 2018, Molecular Simulation.

Theoretical design and characterisation on the fluorinated nitrophenyl azidotriazoles

Guixiang Wang, X. Gong, Junqing Yang, 2017 .

Structure, energetic performance, and decomposition mechanism of four azidoazoles

Guixiang Wang, X. Gong, Junqing Yang, 2015, Structural Chemistry.

Computational characterization of 2, 4, 6, 8, 10, 12, 13-heptaazatetracyclo [5.5.1.03,11.05,9]tridecanes as potential energetic compounds

X. Gong, Fang Wang, Jian-ying Zhang, 2013, Structural Chemistry.

Theoretical studies of -NH2 and -NO2 substituted dipyridines

Hui Liu, Guixiang Wang, X. Gong, 2012, Journal of Molecular Modeling.

An investigation on the reaction mechanism of the F2 + Cl2 → 2ClF using the B3LYP method

X. Gong, Heming Xiao, Zunyao Wang, 2002 .

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

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

Density functional theory and molecular dynamic investigations on the energetic and mechanical properties of nitrocellulose/nitroglycerin/pentaerythritol diazido dinitrate composites

Guixiang Wang, X. Gong, Junqing Yang, 2017 .

Carbon quantum dots derived from lysine and arginine simultaneously scavenge bacteria and promote tissue repair

X. Gong, W. Shu, X. Xing, 2020 .

Photodegradation of cyanine and merocyanine dyes

H. Tian, X. Gong, Heming Xiao, 2001 .

QSARs for congener-specific toxicity of polyhalogenated dibenzo-p-dioxins with DFT and WHIM theory.

X. Gong, X. Ju, Cheng Sun, 2009, Ecotoxicology and environmental safety.

A theoretical study on 1,5-diazido-3-nitrazapentane (DANP) and 1,7-diazido-2,4,6-trinitrazaheptane (DATNH): molecular and crystal structures, thermodynamic and detonation properties, and pyrolysis mechanism

Guixiang Wang, X. Gong, F. Wang, 2013, Journal of Molecular Modeling.

DFT Studies on Detonation Properties, Pyrolysis Mechanism, and Stability of the Nitro and Hydroxyl Derivatives of Benzene

Hui Liu, X. Gong, Yan Liu, 2011 .

A theoretical investigation on the structures, densities, detonation properties, and pyrolysis mechanism of the nitro derivatives of phenols

Guixiang Wang, X. Gong, Heming Xiao, 2010 .

A theoretical study on the vibrational spectra and thermodynamic properties for the nitro derivatives of phenols.

Guixiang Wang, X. Gong, Heming Xiao, 2009, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

A promising azido nitrate ester plasticizer for propellant

Guixiang Wang, X. Gong, Junqing Yang, 2015 .

Design of new aliphatic azido nitro compounds as plasticizer: an initial exploration on AFCTEE (1-azido-formic acid 1,1,1-trinitro-ethyl ester)

Guixiang Wang, X. Gong, Junqing Yang, 2015 .

An improved approach for predicting the density of azido compounds

Guixiang Wang, X. Gong, F. Wang, 2014 .

Theoretical Study on the Vibrational Spectra and Thermodynamic Properties for Nitro Derivatives of Benzene and Anilines

Guixiang Wang, X. Gong, Heming Xiao, 2008 .

Structure and electronic spectral property of coumarin–chalcone hybrids: A comparative study using conventional and long-range corrected hybrid functionals

X. Gong, Yunsheng Xue, Yi Liu, 2012 .

Theoretical investigations on the stability of alkali metal substituted phenylpentazole

X. Gong, Xueli Zhang, 2016, Journal of Molecular Modeling.

DFT studies on the structures and stabilities of N5+-containing salts

Fang Wang, Xuedong Gong, X. Gong, 2011 .

Studies on the molecular structures, vibrational spectra and thermodynamic properties of organic nitrates using density functional theory and ab initio methods

X. Gong, Heming Xiao, He Ming Xiao, 2001 .

Ab initio studies on four alkyl nitric esters

X. Gong, Heming Xiao, B. Graaf, 1997 .

Molecular Dynamics Simulation of Diffusion of Vitamin C in Water Solution

X. Gong, Jingwen Chen, Jian-ping Zeng, 2012 .

Molecular Dynamics Simulation of Interaction between Calcite Crystal and Phosphonic Acid Molecules

X. Gong, Fengyun Wang, Shuguang Zhang, 2010 .

Solvent effects on the geometry, electronic structure, and bonding style of Zn(N 5 ) 2 : A theoretical study

Guixiang Wang, X. Gong, Ming Lu, 2020, Journal of the Chinese Chemical Society.

Theoretical studies on the stability of the salts formed by DTDO with HNO3 and HN(NO2)2

X. Gong, Xueli Zhang, Junqing Yang, 2015, Journal of Chemical Sciences.

Hydrogen-bonding interactions and properties of energetic nitroamino[1,3,5]triazine-based guanidinium salts: DFT-D and QTAIM studies.

Hui Liu, X. Gong, Hong-Chen Du, 2012, Chemistry, an Asian journal.

A computational study of proton transfer and solvent effect on nitroamino[1,3,5]triazine-based ammonium energetic salts

X. Gong, F. Wang, Haimin Li, 2014, Structural Chemistry.

Substituent Effect on the Structure and Biological Property of 99m Tc-Labeled Diphosphonates: Theoretical Studies

X. Gong, L. Qiu, Jianguo Lin, 2012 .

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 .

Effects of Electronic Delocalization and Hydrostatic Compression on Structure and Properties of Cage Compound 4‐Trinitroethyl‐2,6,8,10,12‐pentanitrohexaazaisowurtzitane

X. Gong, Jian-ying Zhang, Gangling Chen, 2019, ChemistrySelect.

Density functional theory study of high‐pressure effect on crystalline 4,4′,6,6′‐tetra(azido)hydrazo‐1,3,5‐triazine

Hui Liu, Fang Wang, Xue-Dong Gong, 2012, J. Comput. Chem..

First-Principle Study on High-Pressure Behavior of Crystalline Polyazido-1,3,5-triazine

X. Gong, Hong-Chen Du, Fang Wang, 2012 .

Preparation and Evaluation of a C18-Sulfonic Group Dual Modification Chromatographic Stationary Phase

X. Gong, Fengyun Wang, Weibing Zhang, 2017 .

A comparison of semiempirical and first principle methods for establishing toxicological QSARs of nitroaromatics

X. Gong, Heming Xiao, X. Ju, 2006 .

Theoretical investigations on the density, detonation performance and stability of fluorinated hexanitroadamantanes

Guixiang Wang, X. Gong, Yan Liu, 2021, Structural Chemistry.

Theoretical studies on new potential high energy density compounds (HEDCs) adamantyl nitrates from gas to solid

X. Gong, Heming Xiao, Weihua Zhu, 2008 .

Theoretical investigation of rare gas adsorption on and inside B-doped carbon nanotubes by DFT, QTAIM and NBO

X. Gong, Xueli Zhang, 2015 .

Theoretical investigation on structures, densities, detonation properties, and the pyrolysis mechanism of the derivatives of HNS.

Guixiang Wang, X. Gong, Heming Xiao, 2009, Journal of Physical Chemistry A.

theoretical investigation on the structures , densities , detonation properties and yrolysis mechanism of the nitro derivatives of toluenes

Guixiang Wang, X. Gong, Heming Xiao, 2010 .

Theoretical studies on heats of formation for polynitrocubanes using the density functional theory B3LYP method and semiempirical MO methods

X. Gong, Heming Xiao, Ji Zhang, 2001 .

Substituent Effect on Infrared Spectra and Thermodynamic Properties of Polynitroamino Substituted Cyclopentane and Cyclohexane

X. Gong, Heming Xiao, L. Qiu, 2008 .

Theoretical study of solvent effects on RDX crystal quality and sensitivity using an implicit solvation model

X. Gong, Wu Lei, Mingzhu Xia, 2014, Journal of Molecular Modeling.

Computational studies on the crystal structure, thermodynamic properties, detonation performance, and pyrolysis mechanism of 2,4,6,8-tetranitro-1,3,5,7-tetraazacubane as a novel high energy density material.

X. Gong, F. Wang, Hong-Chen Du, 2011, The journal of physical chemistry. A.

DFT studies on a high energy density cage compound 4-trinitroethyl-2,6,8,10,12-pentanitrohezaazaisowurtzitane.

X. Gong, Hong-Chen Du, F. Wang, 2011, The journal of physical chemistry. A.

Theoretical investigations of a high density cage compound 10-(1-nitro-1, 2, 3, 4-tetraazol-5-yl)) methyl-2, 4, 6, 8, 12-hexanitrohexaazaisowurtzitane

X. Gong, Hong-Chen Du, Jian-ying Zhang, 2011, Journal of Molecular Modeling.

Theoretical design of nitrogen-rich cages for energetic materials

X. Gong, Gangling Chen, Jianying Zhang, 2022, Computational and Theoretical Chemistry.

The effect of nitro groups on the structures and energetic properties of the derivatives composed of TATB and cubane

X. Gong, Jian-ying Zhang, 2017, Structural Chemistry.

Comparative theoretical investigation of the structures, energetics, and stabilities of C7N5H11cages

X. Gong, Jian-ying Zhang, 2015, Journal of Molecular Modeling.

Exploring aliphatic nitro azides for plasticizers: a combined DFT and MD investigation

Guixiang Wang, X. Gong, Junqing Yang, 2015 .

Crystal structure, detonation performance, and thermal stability of a new polynitro cage compound: 2, 4, 6, 8, 10, 12, 13, 14, 15-nonanitro-2, 4, 6, 8, 10, 12, 13, 14, 15-nonaazaheptacyclo [5.5.1.13, 11. 15, 9] pentadecane

X. Gong, Hong-Chen Du, F. Wang, 2012, Journal of Molecular Modeling.

Molecular design of new nitramine explosives: 1,3,5,7-tetranitro-8-(nitromethyl)-4-imidazolino[4,5-b]4-imidazolino-[4,5-e] pyridine and its N-oxide

Hui Liu, Guixiang Wang, X. Gong, 2012, Journal of Molecular Modeling.

Comparative theoretical studies of energetic azo s-triazines.

X. Gong, F. Wang, Hong-Chen Du, 2011, The journal of physical chemistry. A.

Theoretical Studies on the Infrared Vibrational Spectra, Thermodynamic Properties and Nuclear Magnetic Resonance Spectra for Polynitro‐1,3‐bishomopentaprismanes

Guixiang Wang, X. Gong, Heming Xiao, 2009 .

Substituent effect on the molecular stability,group interaction,detonation performance,and thermolysis mechanism of nitroamino-substituted cyclopentanes and cyclohexanes

X. Gong, Heming Xiao, X. Ju, 2008 .

Ab initio studies on the conformations, thermodynamic properties and rotational isomerization of diphenylamine (DPA)

X. Gong, Heming Xiao, Ying‐Nan Chiu, 1999 .

DFT, QTAIM, and NBO investigations of the ability of the Fe or Ni doped CNT to absorb and sense CO and NO

X. Gong, Xueli Zhang, 2015, Journal of Molecular Modeling.

Theoretical study of the stabilities and detonation performance of 5-nitro-3-trinitromethyl-1H-1,2,4-triazole and its derivatives

X. Gong, Xueli Zhang, 2015, Journal of Molecular Modeling.

A theoretical study on the structures, thermodynamic properties and detonation performances of azidamines

X. Gong, Hong-Chen Du, Fang Wang, 2011 .

Ab initio study on the internal rotation of five π‐conjugated hydrocarbons at MP2 level

X. Gong, Heming Xiao, 1998 .

Variable van der Waals Radii Derived From a Hybrid Gaussian Charge Distribution Model for Continuum-Solvent Electrostatic Calculations

Chung F. Wong, X. Gong, T. Heine, 2016 .