Publications by authors named "Heming Xiao"

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The increased frequency of combined El Niño and positive IOD events since 1965s and its impacts on maritime continent hydroclimates.
He-Ming Xiao, Min-Hui Lo, Jin-Yi Yu

Sci Rep· May 2022

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Cooperative effects of different temperatures and pressures on the initial and subsequent decomposition reactions of the nitrogen-rich energetic crystal 3,3'-dinitroamino-4,4'-azoxyfurazan.
Qiong Wu, Weihua Zhu, Heming Xiao

Phys Chem Chem Phys· March 2016

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How does low temperature coupled with different pressures affect initiation mechanisms and subsequent decompositions in nitramine explosive HMX?
Qiong Wu, Guolin Xiong, Weihua Zhu, Heming Xiao

Phys Chem Chem Phys· September 2015

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Vacancy-induced initial decomposition of condensed phase NTO via bimolecular hydrogen transfer mechanisms at high pressure: a DFT-D study.
Zhichao Liu, Qiong Wu, Weihua Zhu, Heming Xiao

Phys Chem Chem Phys· April 2015

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Searching for a new family of insensitive high explosives by introducing N hybridization and N-oxides into a cage cubane.
Qiong Wu, Weihua Zhu, Heming Xiao

J Mol Model· November 2014

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An ab initio molecular dynamics study of thermal decomposition of 3,6-di(azido)-1,2,4,5-tetrazine.
Qiong Wu, Weihua Zhu, Heming Xiao

Phys Chem Chem Phys· October 2014

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Quantum chemical studies on three novel 1,2,4-triazole N-oxides as potential insensitive high explosives.
Qiong Wu, Weihua Zhu, Heming Xiao

J Mol Model· September 2014

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A DFT study of the unimolecular decomposition of 1,2,4-butanetriol trinitrate.
Weihua Zhu, Qingli Yan, Aimin Pang, Xuehui Chi, Xijuan Du, Heming Xiao

J Mol Model· February 2014

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First-principles study of the structural transformation, electronic structure, and optical properties of crystalline 2,6-diamino-3,5-dinitropyrazine-1-oxide under high pressure.
Qiong Wu, Chunhong Yang, Yong Pan, Fang Xiang, Zhichao Liu, Heming Xiao

J Mol Model· December 2013

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DFT study on crystalline 1,1-diamino-2,2-dintroethylene under high pressures.
Qiong Wu, Weihua Zhu, Heming Xiao

J Mol Model· September 2013

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Theoretical design of energetic nitrogen-rich derivatives of 1,7-diamino-1,7-dinitrimino-2,4,6-trinitro-2,4,6-triazaheptane.
Qiong Wu, Weihua Zhu, Heming Xiao

J Mol Model· August 2013

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Theoretical studies of energetic nitrogen-rich ionic salts composed of substituted 5-nitroiminotetrazolate anions and various cations.
Fang Xiang, Weihua Zhu, Heming Xiao

J Mol Model· August 2013

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Theoretical studies on the unimolecular decomposition of nitroglycerin.
Qingli Yan, Weihua Zhu, Aimin Pang, Xuhui Chi, Xijuan Du, Heming Xiao

J Mol Model· April 2013

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Computational study of energetic nitrogen-rich derivatives of 1,4-bis(1-azo-2,4-dinitrobenzene)-iminotetrazole.
Qiong Wu, Yong Pan, Weihua Zhu, Heming Xiao

J Mol Model· April 2013

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Structure-property relationships of energetic nitrogen-rich salts composed of triaminoguanidinium or ammonium cation and tetrazole-based anions.
Yuling Shao, Weihua Zhu, Heming Xiao

J Mol Graph Model· March 2013

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Periodic density functional theory study of the high-pressure behavior of energetic crystalline 1,4-dinitrofurazano[3, 4-b]piperazine.
Wentao Wang, Weihua Zhu, Jinshan Li, Bibo Cheng, Heming Xiao

J Mol Model· January 2013

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Characterization of nitrogen-bridged 1,2,4,5-tetrazine-, furazan-, and 1H-tetrazole-based polyheterocyclic compounds: heats of formation, thermal stability, and detonation properties.
Tao Wei, Jianzhang Wu, Weihua Zhu, Chenchen Zhang, Heming Xiao

J Mol Model· August 2012

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Prediction of the properties and thermodynamics of formation for energetic nitrogen-rich salts composed of triaminoguanidinium cation and 5-nitroiminotetrazolate-based anions.
Weihua Zhu, Qingli Yan, Jinshan Li, Bibo Cheng, Yuling Shao, Heming Xiao

J Comput Chem· August 2012

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Design and selection of nitrogen-rich bridged di-1,3,5-triazine derivatives with high energy and reduced sensitivity.
Yong Pan, Weihua Zhu, Heming Xiao

J Mol Model· July 2012

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Initial chemical events in shocked octahydro-1,3,5,7-tetranitro-1,3,5,7- tetrazocine: a new initiation decomposition mechanism.
Weihua Zhu, Hui Huang, Hengjian Huang, Heming Xiao

J Chem Phys· January 2012

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Computational study of energetic nitrogen-rich derivatives of 1,1'- and 5,5'-bridged ditetrazoles.
Weihua Zhu, Chenchen Zhang, Tao Wei, Heming Xiao

J Comput Chem· July 2011

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Looking for high energy density compounds applicable for propellant among the derivatives of DPO with -N3, -ONO2, and -NNO2 groups.
Gui-Xiang Wang, Xue-Dong Gong, Yan Liu, Hong-Chen Du, Xiao-Juan Xu, He-Ming Xiao

J Comput Chem· April 2011

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Substituent effects on the properties related to detonation performance and sensitivity for 2,2',4,4',6,6'-hexanitroazobenzene derivatives.
Yan Liu, Xuedong Gong, Lianjun Wang, Guixiang Wang, Heming Xiao

J Phys Chem A· March 2011

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Theoretical prediction of properties of aliphatic polynitrates.
Gui-xiang Wang, Xue-dong Gong, Hong-chen Du, Yan Liu, He-ming Xiao

J Phys Chem A· February 2011

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DFT study on energetic tetrazolo-[1,5-b]-1,2,4,5-tetrazine and 1,2,4-triazolo-[4,3-b]-1,2,4,5-tetrazine derivatives.
Tao Wei, Weihua Zhu, Jingjing Zhang, Heming Xiao

J Hazard Mater· July 2010

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