Theoretical studies of C–NO2 bond dissociation energies for chain nitro compounds

Hengjie Chen; Xinlu Cheng; Zhiguo Ma; Xingfang Su

doi:10.1016/j.theochem.2006.12.005

Theoretical studies of C–NO2 bond dissociation energies for chain nitro compounds

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2006.12.005 ◽

2007 ◽

Vol 807 (1-3) ◽

pp. 43-47 ◽

Cited By ~ 5

Author(s):

Hengjie Chen ◽

Xinlu Cheng ◽

Zhiguo Ma ◽

Xingfang Su

Keyword(s):

Nitro Compounds ◽

Theoretical Studies ◽

Bond Dissociation Energies ◽

Bond Dissociation ◽

Dissociation Energies

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Bond dissociation energies in nitrites and nitro compounds and the reaction of free radicals with nitrogen dioxide

Transactions of the Faraday Society ◽

10.1039/tf9555101367 ◽

1955 ◽

Vol 51 ◽

pp. 1367 ◽

Cited By ~ 31

Author(s):

Peter Gray

Keyword(s):

Free Radicals ◽

Nitrogen Dioxide ◽

Nitro Compounds ◽

Bond Dissociation Energies ◽

Bond Dissociation ◽

Dissociation Energies

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Theoretical studies on bond dissociation energies for some pyridine N-oxide biological compounds by density functional theory and CBS-4M method

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2009.04.032 ◽

2009 ◽

Vol 907 (1-3) ◽

pp. 126-130 ◽

Cited By ~ 10

Author(s):

Tang Zheng-Xin ◽

Li Xiao-Hong ◽

Zhang Xian-Zhou

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Theoretical Studies ◽

Bond Dissociation Energies ◽

Functional Theory ◽

Bond Dissociation ◽

Dissociation Energies ◽

Biological Compounds

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Investigation of correlation between impact sensitivities and bond dissociation energies in benzenoid nitro compounds

Journal of Structural Chemistry ◽

10.1134/s0022476613030049 ◽

2013 ◽

Vol 54 (3) ◽

pp. 499-504 ◽

Cited By ~ 2

Author(s):

X. -H. Li ◽

D. -F. Han ◽

X. -Z. Zhang

Keyword(s):

Nitro Compounds ◽

Bond Dissociation Energies ◽

Bond Dissociation ◽

Dissociation Energies ◽

Impact Sensitivities

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The evaluation of bond dissociation energies for NO 2 scission in nitro compounds using density functional and complete basis set methods

Chinese Physics ◽

10.1088/1009-1963/15/2/017 ◽

2006 ◽

Vol 15 (2) ◽

pp. 329-333 ◽

Cited By ~ 7

Author(s):

Shao Ju-Xiang ◽

Cheng Xin-Lu ◽

Yang Xiang-Dong ◽

He Bi

Keyword(s):

Density Functional ◽

Nitro Compounds ◽

Basis Set ◽

Bond Dissociation Energies ◽

Bond Dissociation ◽

Dissociation Energies ◽

Complete Basis ◽

Complete Basis Set

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Theoretical studies of bond dissociation energies for removal of the nitrile group in some nitrile compounds

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2008.05.036 ◽

2008 ◽

Vol 863 (1-3) ◽

pp. 133-136 ◽

Cited By ~ 4

Author(s):

Jun Zhao ◽

Kunshi Zhang ◽

Xinlu Cheng ◽

Xiangdong Yang

Keyword(s):

Nitrile Group ◽

Theoretical Studies ◽

Bond Dissociation Energies ◽

Bond Dissociation ◽

Dissociation Energies

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Computation of Bond Dissociation Energies for Removal of Nitrogen Dioxide Groups in Certain Aliphatic Nitro Compounds

Chinese Physics Letters ◽

10.1088/0256-307x/23/4/016 ◽

2006 ◽

Vol 23 (4) ◽

pp. 819-821 ◽

Cited By ~ 4

Author(s):

Shao Ju-Xiang ◽

Cheng Xin-Lu ◽

Yang Xiang-Dong ◽

Xiang Shi-Kai

Keyword(s):

Nitrogen Dioxide ◽

Nitro Compounds ◽

Bond Dissociation Energies ◽

Aliphatic Nitro Compounds ◽

Bond Dissociation ◽

Dissociation Energies

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Theoretical studies on heats of formation, group interactions, and bond dissociation energies in neopentyl difluoroamino compounds

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2006.08.057 ◽

2006 ◽

Vol 801 (1-3) ◽

pp. 55-62 ◽

Cited By ~ 30

Author(s):

Xiao-Wei Fan ◽

Xue-Hai Ju ◽

He-Ming Xiao ◽

Ling Qiu

Keyword(s):

Heats Of Formation ◽

Theoretical Studies ◽

Bond Dissociation Energies ◽

Group Interactions ◽

Bond Dissociation ◽

Dissociation Energies

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Theoretical studies of bond dissociation energies of S–NO for S-nitrosothiols

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2007.04.017 ◽

2007 ◽

Vol 817 (1-3) ◽

pp. 43-46 ◽

Cited By ~ 16

Author(s):

Xiao-Hong Li ◽

Rui-Zhou Zhang ◽

Xiang-Dong Yang

Keyword(s):

Theoretical Studies ◽

Bond Dissociation Energies ◽

Bond Dissociation ◽

Dissociation Energies

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Calculations of the Bond Dissociation Energies for NO2 Scission in Some Nitro Compounds

Structural Chemistry ◽

10.1007/s11224-005-4334-3 ◽

2005 ◽

Vol 16 (5) ◽

pp. 457-460 ◽

Cited By ~ 13

Author(s):

Juxiang Shao ◽

Xinlu Cheng ◽

Xiangdong Yang

Keyword(s):

Nitro Compounds ◽

Bond Dissociation Energies ◽

Bond Dissociation ◽

Dissociation Energies

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Theoretical studies on heats of formation, detonation properties, and bond dissociation energies of monofurazan derivatives

International Journal of Quantum Chemistry ◽

10.1002/qua.22283 ◽

2009 ◽

Vol 110 (8) ◽

pp. 1549-1558 ◽

Cited By ~ 12

Author(s):

Xiaowen Zhang ◽

Weihua Zhu ◽

Heming Xiao

Keyword(s):

Heats Of Formation ◽

Detonation Properties ◽

Theoretical Studies ◽

Bond Dissociation Energies ◽

Bond Dissociation ◽

Dissociation Energies

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