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Defect engineering of black phosphorene towards an enhanced polysulfide host and catalyst for lithium-sulfur batteries: A first principles study

Journal of applied physics, 2019-03, Vol.125 (9)

2019

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New synthesis method for urazine and dissolution-crystallization of its Ag()-based laser energetic coordination polymers

CrystEngComm, 2022-04, Vol.24 (14), p.2679-2685

2022

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Intermolecular interactions, thermodynamic properties, crystal structure, and detonation performance of HMX/NTO cocrystal explosive

International journal of quantum chemistry, 2013-05, Vol.113 (10), p.1591-1599

2013

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Structure and detonation performance of a novel HMX/LLM-105 cocrystal explosive

Journal of physical organic chemistry, 2013-11, Vol.26 (11), p.898-907

2013

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Dinitromethyl, fluorodinitromethyl derivatives of RDX and HMX as high energy density materials: a computational study

Structural chemistry, 2019-12, Vol.30 (6), p.2401-2408

2019

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Enhancing energetic performance of metal-organic complex-based metastable energetic nanocomposites by spray crystallization

Defence technology, 2023-06, Vol.24, p.203-213

2023

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Synthesis of energetic coordination polymers based on 4-nitropyrazole by solid-melt crystallization in non-ionization condition

Defence technology, 2023-10, Vol.28, p.13-22

2023

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Tuning the Energetic Performance of CL-20 by Surface Modification Using Tannic Acid and Energetic Coordination Polymers

ACS omega, 2022-03, Vol.7 (12), p.10469-10475

2022

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Functionalized titanium nitride-based MXenes as promising host materials for lithium-sulfur batteries: A first principles study

Ceramics international, 2019-02, Vol.45 (2), p.1588-1594

2019

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A Comparative Theoretical Study of Picric Acid and Its Cocrystals

Crystals (Basel), 2015-09, Vol.5 (3), p.346-354

2015

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Competitive Coordination of Azide Groups: Synthesis of Solvent-Free and Chlorine-Free Primary Explosives Based on 3‑Amino-1-nitroguanidine

Crystal growth & design, 2021-12, Vol.21 (12), p.7002-7007

2021

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Synthesis, characterization, AIM and NBO analysis of HMX/DMI cocrystal explosive

Journal of molecular structure, 2013-09, Vol.1048, p.339-348

2013

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Theoretical study of BTF/TNA cocrystal： Effects of hydrostatic pressure and temperature

Defence Technology（防务技术）, 2015-06, Vol.11 (2), p.132-139

2015

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Ab initio studies of 1,3,5,7-tetranitro-1,3,5,7-tetrazocine/1,3-dimethyl-2-imidazolidinone cocrystal under high pressure using dispersion corrected density functional theory

Journal of applied physics, 2014-04, Vol.115 (14)

2014

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Investigation of TNB/NNAP cocrystal synthesis, molecular interaction and formation process

Journal of molecular structure, 2017-01, Vol.1128, p.629-635

2017

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Computational design of high energy density materials with zero oxygen balance: A combination of furazan and piperazine rings

Computational and theoretical chemistry, 2018-09, Vol.1139, p.44-49

2018

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Computational study of pyrazine-based derivatives and their N-oxides as high energy materials

Journal of physical organic chemistry, 2013-06, Vol.26 (6), p.484-491

2013

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Role of intermolecular interaction in crystal packing: A competition between halogen bond and electrostatic interaction

Journal of molecular structure, 2017-03, Vol.1131, p.250-257

2017

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Molecular Dynamic Simulation and Density Functional Theory Insight into the Nitrogen Rich explosive 1,5-diaminotetrazole(DAT)

Procedia engineering, 2018, Vol.211, p.546-554

2018

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Synthesis, Characterization, Detonation Performance, and DFT Calculation of HMX/PNO Cocrystal Explosive

Journal of energetic materials, 2017-01, Vol.35 (1), p.95-108

2017

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Synthesis and First Principles Investigation of HMX/NMP Cocrystal Explosive

Journal of energetic materials, 2013-10, Vol.31 (4), p.261-272

2013

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A DFT-D Study on Structural, Electronic, Thermodynamic, and Mechanical Properties of HMX/MPNO Cocrystal under High Pressure

Journal of energetic materials, 2017-04, Vol.35 (2), p.157-171

2017

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Theoretical investigation of a novel high density cage compound 4,8,11,14,15–pentanitro-2,6,9,13–tetraoxa-4,8,11,14,15-pentaazaheptacyclo[5.5.1.13,11. 15,9] pentadecane

Journal of molecular modeling, 2013-03, Vol.19 (3), p.1019-1026

2013

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Theoretical studies on the thermodynamic properties, densities, detonation properties, and pyrolysis mechanisms of trinitromethyl-substituted aminotetrazole compounds

Journal of molecular modeling, 2013-06, Vol.19 (6), p.2413-2422

2013

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Theoretical design of pyrazine-based high energy materials

Computational and theoretical chemistry, 2013-06, Vol.1013, p.25-31

2013

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Defect engineering of black phosphorene towards an enhanced polysulfide host and catalyst for lithium-sulfur batteries: A first principles study

New synthesis method for urazine and dissolution-crystallization of its Ag()-based laser energetic coordination polymers

Intermolecular interactions, thermodynamic properties, crystal structure, and detonation performance of HMX/NTO cocrystal explosive

Structure and detonation performance of a novel HMX/LLM-105 cocrystal explosive

Dinitromethyl, fluorodinitromethyl derivatives of RDX and HMX as high energy density materials: a computational study

Enhancing energetic performance of metal-organic complex-based metastable energetic nanocomposites by spray crystallization

Synthesis of energetic coordination polymers based on 4-nitropyrazole by solid-melt crystallization in non-ionization condition

Tuning the Energetic Performance of CL-20 by Surface Modification Using Tannic Acid and Energetic Coordination Polymers

Functionalized titanium nitride-based MXenes as promising host materials for lithium-sulfur batteries: A first principles study

A Comparative Theoretical Study of Picric Acid and Its Cocrystals

Competitive Coordination of Azide Groups: Synthesis of Solvent-Free and Chlorine-Free Primary Explosives Based on 3‑Amino-1-nitroguanidine

Synthesis, characterization, AIM and NBO analysis of HMX/DMI cocrystal explosive

Theoretical study of BTF/TNA cocrystal： Effects of hydrostatic pressure and temperature

Ab initio studies of 1,3,5,7-tetranitro-1,3,5,7-tetrazocine/1,3-dimethyl-2-imidazolidinone cocrystal under high pressure using dispersion corrected density functional theory

Investigation of TNB/NNAP cocrystal synthesis, molecular interaction and formation process

Computational design of high energy density materials with zero oxygen balance: A combination of furazan and piperazine rings

Computational study of pyrazine-based derivatives and their N-oxides as high energy materials

Role of intermolecular interaction in crystal packing: A competition between halogen bond and electrostatic interaction

Molecular Dynamic Simulation and Density Functional Theory Insight into the Nitrogen Rich explosive 1,5-diaminotetrazole(DAT)

Synthesis, Characterization, Detonation Performance, and DFT Calculation of HMX/PNO Cocrystal Explosive

Synthesis and First Principles Investigation of HMX/NMP Cocrystal Explosive

A DFT-D Study on Structural, Electronic, Thermodynamic, and Mechanical Properties of HMX/MPNO Cocrystal under High Pressure

Theoretical investigation of a novel high density cage compound 4,8,11,14,15–pentanitro-2,6,9,13–tetraoxa-4,8,11,14,15-pentaazaheptacyclo[5.5.1.13,11. 15,9] pentadecane

Theoretical studies on the thermodynamic properties, densities, detonation properties, and pyrolysis mechanisms of trinitromethyl-substituted aminotetrazole compounds

Theoretical design of pyrazine-based high energy materials

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