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101

Theoretical Studies on the Structures, Thermodynamic Properties, Detonation Properties, and Pyrolysis Mechanisms of Spiro Nitramines

Qiu, Ling, Xiao, Heming, Gong, Xuedong, Ju, Xuehai, Zhu, Weihua

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 134 KB

english, 2006

102

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

Journal:

Journal of Molecular Modeling

Year:

2012

Language:

english

File:

PDF, 411 KB

english, 2012

103

First-principles study of the structure, mechanical properties, and phase stability of crystalline zirconia under high pressure

Weihua Zhu, Rongshan Wang, Guogang Shu, Ping Wu, Heming Xiao

Journal:

Structural Chemistry

Year:

2012

Language:

english

File:

PDF, 823 KB

english, 2012

104

AM1 study on the mechanism of hydrolysis of nitrourea and solvation effect upon hydrolysis

Xiao Heming, Li Yumin

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1995

Language:

english

File:

PDF, 584 KB

english, 1995

105

The study on the mechanism of iminium salts as potential Mannich reagents. Part 2. Ethylene as pseudo-acid component

Li Yumin, Xiao Heming, Wu Jian

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1995

Language:

english

File:

PDF, 395 KB

english, 1995

106

Theoretical study on pyrolysis and sensitivity of energetic compounds. (2) Nitro derivatives of benzene

Fan Jianfen, Xiao Heming

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1996

Language:

english

File:

PDF, 453 KB

english, 1996

107

The distribution of neural nitric oxide synthase-positive cerebrospinal fluid-contacting neurons in the third ventricular wall of male rats and coexistence with vasopressin or oxytocin

Ming Xiao, Jiong Ding, Lingxia Wu, Qunying Han, Heming Wang, Guoping Zuo, Gang Hu

Journal:

Year:

2005

Language:

english

File:

PDF, 1020 KB

english, 2005

108

Corrigendum to “Human adult olfactory neural progenitors promote axotomized rubrospinal tract axonal reinnervation and locomotor recovery” [Neurobiol. Dis. 26 (2007) 363–374]

Ming Xiao, Kathleen M. Klueber, Zhanfang Guo, Chengliang Lu, Heming Wang, Fred J. Roisen

Journal:

Neurobiology of Disease

Year:

2007

Language:

english

File:

PDF, 63 KB

english, 2007

109

Human adult olfactory neural progenitors promote axotomized rubrospinal tract axonal reinnervation and locomotor recovery

Ming Xiao, Kathleen M. Klueber, JianPing Zhou, Zhanfang Guo, Chengliang Lu, Heming Wang, Fred J. Roisen

Journal:

Neurobiology of Disease

Year:

2007

Language:

english

File:

PDF, 4.93 MB

english, 2007

110

A theoretical study of intermolecular interaction of HNO3 dimer

Jinshan Li, Feng Zhao, Fuqian Jing, Heming Xiao

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2001

Language:

english

File:

PDF, 121 KB

english, 2001

111

Conformational studies of the N-acetyl-S-methyl-l-cysteinyl-l-histidylglycine methyl amide cation using the AM1 method

Yongcheng Song, Longgen Zhu, Xiaohua Chen, Jimei Xiao, Jianfen Fan, Heming Xiao

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1996

Language:

english

File:

PDF, 640 KB

english, 1996

112

Ab initio studies on four alkyl nitric esters

Xuedong Gong, Heming Xiao, B. van de Graaf

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1997

Language:

english

File:

PDF, 414 KB

english, 1997

113

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

Xuedong Gong, Heming Xiao

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1998

Language:

english

File:

PDF, 96 KB

english, 1998

114

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

Jime Xiao, Xuedong Gong, Yingnan Chiu, Heming Xiao

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1999

Language:

english

File:

PDF, 109 KB

english, 1999

115

First-Principles Study of Different Polymorphs of Crystalline Zirconium Hydride

Zhu, Weihua, Wang, Rongshan, Shu, Guogang, Wu, Ping, Xiao, Heming

Journal:

The Journal of Physical Chemistry C

Year:

2010

Language:

english

File:

PDF, 2.82 MB

english, 2010

116

Human adult olfactory neural progenitors rescue axotomized rodent rubrospinal neurons and promote functional recovery

Ming Xiao, Kathleen M. Klueber, Chengliang Lu, Zhanfang Guo, Charles T. Marshall, Heming Wang, Fred J. Roisen

Journal:

Experimental Neurology

Year:

2005

Language:

english

File:

PDF, 1.51 MB

english, 2005

117

Study on the relations of sensitivity with energy properties for HMX and HMX-based PBXs by molecular dynamics simulation

Jijun Xiao, Wenrui Wang, Jun Chen, Guangfu Ji, Wei Zhu, Heming Xiao

Journal:

Physica B: Condensed Matter

Year:

2012

Language:

english

File:

PDF, 660 KB

english, 2012

118

Theoretical and experimental studies of structure and inhibition efficiency of imidazoline derivatives

Daxi Wang, Shuyuan Li, Yu Ying, Mingjun Wang, Heming Xiao, Zhaoxu Chen

Journal:

Corrosion Science

Year:

1999

Language:

english

File:

PDF, 138 KB

english, 1999

119

Transcriptional Inactivation of STAT3 by PPARγ Suppresses IL-6-Responsive Multiple Myeloma Cells

Li Hua Wang, Xiao Yi Yang, Xiaohu Zhang, Jiaqiang Huang, Jian Hou, Jie Li, Hong Xiong, Kelly Mihalic, Heming Zhu, Weihua Xiao, William L. Farrar

Journal:

Year:

2004

Language:

english

File:

PDF, 662 KB

english, 2004

120

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

Journal:

Journal of Molecular Modeling

Year:

2012

Language:

english

File:

PDF, 577 KB

english, 2012

121

A theoretical study on nitration mechanism of benzene and solvent effects

Heming Xiao, Litao Chen, Xuehai Ju, Guangfu Ji

Journal:

Science China Chemistry

Year:

2003

Language:

english

File:

PDF, 209 KB

english, 2003

122

Crystal structure and quantum chemical investigation of [Cd(NTO)4Cd(H2O)6] · 4H2O

Jirong Song, Haixia Ma, Jie Huang, Rongzu Hu, Heming Xiao, Zhaoxu Chen, Kaibei Yu

Journal:

Science China Chemistry

Year:

2003

Language:

english

File:

PDF, 169 KB

english, 2003

123

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

Journal:

Journal of Molecular Modeling

Year:

2013

Language:

english

File:

PDF, 944 KB

english, 2013

124

Molecular dynamics study on the relationships of modeling, structural and energy properties with sensitivity for RDX-based PBXs

JiJun Xiao, Li Zhao, Wei Zhu, Jun Chen, GuangFu Ji, Feng Zhao, Qiang Wu, HeMing Xiao

Journal:

Science China Chemistry

Year:

2012

Language:

english

File:

PDF, 882 KB

english, 2012

125

Molecular design of trinitromethyl-substituted nitrogen-rich heterocycle derivatives with good oxygen balance as high-energy density compounds

Wu, Qiong, Zhu, Weihua, Xiao, Heming

Journal:

Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 483 KB

english, 2013

126

DFT Study on Nitration Mechanism of Benzene with Nitronium Ion

Chen, Litao, Xiao, Heming, Xiao, Jijun, Gong, Xuedong

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 79 KB

english, 2003

127

Substituent Effects on the Properties Related to Detonation Performance and Sensitivity for 2,2′,4,4′,6,6′-Hexanitroazobenzene Derivatives

Liu, Yan, Gong, Xuedong, Wang, Lianjun, Wang, Guixiang, Xiao, Heming

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 897 KB

english, 2011

128

Density functional theory studies of hydrostatic compression of crystalline ammonium perchlorate

Zhu, Weihua, Zhang, Xiaowen, Zhu, Wei, Xiao, Heming

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 579 KB

english, 2008

129

DFT study on crystalline 1,1-diamino-2,2-dintroethylene under high pressures

Wu, Qiong, Zhu, Weihua, Xiao, Heming

Journal:

Journal of Molecular Modeling

Year:

2013

Language:

english

File:

PDF, 826 KB

english, 2013

130

DFT studies on trinitromethyl- or dinitromethyl-modified derivatives of RDX and β-HMX

Pan, Yong, Zhu, Weihua, Xiao, Heming

Journal:

Computational and Theoretical Chemistry

Year:

2013

Language:

english

File:

PDF, 532 KB

english, 2013

131

Periodic DFT study of structural, electronic, absorption, and thermodynamic properties of crystalline α-RDX under hydrostatic compression

Qiong Wu, Weihua Zhu, Heming Xiao

Journal:

Structural Chemistry

Year:

2014

Language:

english

File:

PDF, 839 KB

english, 2014

132

Theoretical studies on the unimolecular decomposition of nitroglycerin

Yan, Qingli, Zhu, Weihua, Pang, Aimin, Chi, Xuhui, Du, Xijuan, Xiao, Heming

Journal:

Journal of Molecular Modeling

Year:

2013

Language:

english

File:

PDF, 480 KB

english, 2013

133

Comparative Theoretical Studies on Energetic Ionic Salts Composed of Heterocycle-Functionalized Nitraminofurazanate-Based Anions and Triaminoguanidinium Cation

Xiang, Fang, Wu, Qiong, Zhu, Weihua, Xiao, Heming

Journal:

Journal of Chemical & Engineering Data

Year:

2014

Language:

english

File:

PDF, 1.39 MB

english, 2014

134

First-principles study of the high-pressure behavior of solid 1,7-diamino-1,7-dinitrimino-2,4,6-trinitro-2,4,6-triazaheptane

Wu, Qiong, Zhu, Weihua, Xiao, Heming

Journal:

Computational and Theoretical Chemistry

Year:

2014

Language:

english

File:

PDF, 1.04 MB

english, 2014

135

A DFT study of the unimolecular decomposition of 1,2,4-butanetriol trinitrate

Zhu, Weihua, Yan, Qingli, Pang, Aimin, Chi, Xuehui, Du, Xijuan, Xiao, Heming

Journal:

Journal of Molecular Modeling

Year:

2014

Language:

english

File:

PDF, 410 KB

english, 2014

136

Comparison and investigation of bovine hemoglobin binding to dihydroartemisinin and 9-hydroxy-dihydroartemisinin: Spectroscopic characterization

Xiao, Mengsi, Han, Lina, Zhou, Lin, Zhou, Yanhuai, Huang, Xiaoqin, Ge, Xuefeng, Wei, Shaohua, Zhou, Jiahong, Wu, Heming, Shen, Jian

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2014

Language:

english

File:

PDF, 864 KB

english, 2014

137

Comparative DFT Study of Crystalline Ammonium Perchlorate and Ammonium Dinitramide

Zhu, Weihua, Wei, Tao, Zhu, Wei, Xiao, Heming

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 364 KB

english, 2008

138

Pressure-induced structure and properties of crystalline β-FOX-7 by LDA and GGA calculations

Xiang, Fang, Wu, Qiong, Zhu, Weihua, Xiao, Heming

Journal:

Structural Chemistry

Year:

2014

Language:

english

File:

PDF, 1.00 MB

english, 2014

139

Comparative theoretical studies of dinitromethyl- or trinitromethyl-modified derivatives of CL-20

Pan, Yong, Zhu, Weihua, Xiao, Heming

Journal:

Canadian Journal of Chemistry

Year:

2013

File:

PDF, 1.20 MB

2013

140

Structural Transformations and Absorption Properties of Crystalline 7-Amino-6-nitrobenzodifuroxan under High Pressures

Wu, Qiong, Zhu, Weihua, Xiao, Heming

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 3.51 MB

english, 2013

141

Comparative First-Principles Study of Structural and Optical Properties of Alkali Metal Azides

Zhu, Weihua, Xiao, Jijun, Xiao, Heming

Journal:

Journal of Physical Chemistry B

Year:

2006

Language:

english

File:

PDF, 170 KB

english, 2006

142

Catalytic behavior of hydrogen radicals in the thermal decomposition of crystalline furoxan: DFT-based molecular dynamics simulations

Wu, Qiong, Zhu, Weihua, Xiao, Heming

Journal:

Year:

2014

Language:

english

File:

PDF, 884 KB

english, 2014

143

Ab Initio Molecular Dynamics Study of Temperature Effects on the Structure and Stability of Energetic Solid Silver Azide

Zhu, Weihua, Xiao, Heming

Journal:

The Journal of Physical Chemistry C

Year:

2011

Language:

english

File:

PDF, 3.72 MB

english, 2011

144

First-Principles Study of Electronic, Absorption, and Thermodynamic Properties of Crystalline Styphnic Acid and Its Metal Salts

Zhu, Weihua, Xiao, Heming

Journal:

Journal of Physical Chemistry B

Year:

2009

Language:

english

File:

PDF, 3.07 MB

english, 2009

145

First-Principles Study of the Four Polymorphs of Crystalline Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine

Zhu, Weihua, Xiao, Jijuan, Ji, Guangfu, Zhao, Feng, Xiao, Heming

Journal:

Journal of Physical Chemistry B

Year:

2007

Language:

english

File:

PDF, 271 KB

english, 2007

146

Comparative Theoretical Studies of Energetic Substituted Carbon- and Nitrogen-Bridged Difurazans

Zhang, Xiaowen, Zhu, Weihua, Xiao, Heming

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 748 KB

english, 2010

147

Pressure-induced hydrogen transfer and polymerization in crystalline furoxan

Wu, Qiong, Zhu, Weihua, Xiao, Heming

Journal:

Year:

2014

Language:

english

File:

PDF, 1.82 MB

english, 2014

148

An ab initio molecular dynamics study of thermal decomposition of 3,6-di(azido)-1,2,4,5-tetrazine

Wu, Qiong, Zhu, Weihua, Xiao, Heming

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.66 MB

english, 2014

149

Comparative DFT- and DFT-D-based molecular dynamics studies of pressure effects in crystalline 1,3,5-triamino-2,4,6-trinitrobenzene at room temperature

Wu, Qiong, Zhu, Weihua, Xiao, Heming

Journal:

Year:

2014

Language:

english

File:

PDF, 2.17 MB

english, 2014

150

A novel model for the molecular dynamics simulation study on mechanical properties of HMX/F 2311 polymer-bonded explosive

Xiao, Jijun, Zhu, Wei, Ma, Xiufang, Xiao, Heming, Huang, Hui, Li, Jinshan

Journal:

Molecular Simulation

Year:

2008

Language:

english

File:

PDF, 198 KB

english, 2008