Computational studies on the infrared vibrational spectra, thermodynamic properties, detonation properties, and pyrolysis mechanism of octanitrocubane

The Journal of Chemical Physics ◽

10.1063/1.1479136 ◽

2002 ◽

Vol 116 (24) ◽

pp. 10674-10683 ◽

Author(s):

Ji Zhang ◽

Heming Xiao

Keyword(s):

Thermodynamic Properties ◽

Vibrational Spectra ◽

Detonation Properties ◽

Computational Studies ◽

Pyrolysis Mechanism

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Theoretical studies on vibrational spectra, thermodynamic properties, detonation properties and pyrolysis mechanism for 1,2-bis(2,4,6-trinitrophenyl) hydrazine

Journal of Molecular Modeling ◽

10.1007/s00894-011-1302-2 ◽

2011 ◽

Vol 18 (7) ◽

pp. 2897-2905 ◽

Author(s):

Li Xiao-Hong ◽

Zhang Rui-Zhou ◽

Zhang Xian-Zhou

Keyword(s):

Thermodynamic Properties ◽

Vibrational Spectra ◽

Detonation Properties ◽

Theoretical Studies ◽

Pyrolysis Mechanism

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Theoretical Study on Vibrational Spectra, Detonation Properties and Pyrolysis Mechanism for Cyclic 2-Diazo-4,6-dinitrophenol

Chinese Journal of Chemical Physics ◽

10.1088/1674-0068/25/05/545-551 ◽

2012 ◽

Vol 25 (5) ◽

pp. 545-551 ◽

Author(s):

Xiao-hong Li ◽

Geng-xin Yin ◽

Xian-zhou Zhang

Keyword(s):

Vibrational Spectra ◽

Theoretical Study ◽

Detonation Properties ◽

Pyrolysis Mechanism

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Computational studies on thermodynamic properties, detonation properties and bond dissociation energies for polydifluoroaminopurine compounds

Comptes Rendus Chimie ◽

10.1016/j.crci.2013.04.012 ◽

2013 ◽

Vol 16 (8) ◽

pp. 765-772 ◽

Author(s):

Ting Yan ◽

Guangdong Sun ◽

Weijie Chi ◽

Lulin Li ◽

Butong Li ◽

...

Keyword(s):

Thermodynamic Properties ◽

Detonation Properties ◽

Computational Studies ◽

Bond Dissociation Energies ◽

Bond Dissociation ◽

Dissociation Energies

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Theoretical Studies on the Vibrational Spectra, Thermodynamic Properties, Detonation Properties, and Pyrolysis Mechanisms for Polynitroadamantanes

The Journal of Physical Chemistry A ◽

10.1021/jp040472q ◽

2005 ◽

Vol 109 (49) ◽

pp. 11268-11274 ◽

Author(s):

Xiao Juan Xu ◽

He Ming Xiao ◽

Xue Dong Gong ◽

Xue Hai Ju ◽

Zhao Xu Chen

Keyword(s):

Thermodynamic Properties ◽

Vibrational Spectra ◽

Detonation Properties ◽

Theoretical Studies

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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

The Journal of Physical Chemistry A ◽

10.1021/jp2049469 ◽

2011 ◽

Vol 115 (42) ◽

pp. 11788-11795 ◽

Author(s):

Fang Wang ◽

Hongchen Du ◽

Jianying Zhang ◽

Xuedong Gong

Keyword(s):

Crystal Structure ◽

Energy Density ◽

Thermodynamic Properties ◽

High Energy ◽

High Energy Density ◽

Detonation Performance ◽

Computational Studies ◽

Pyrolysis Mechanism ◽

High Energy Density Material

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High-pressure vibrational spectra of humite-group minerals: Fluorine effect on thermodynamic properties and hydrogen bonds

Physics of The Earth and Planetary Interiors ◽

10.1016/j.pepi.2021.106654 ◽

2021 ◽

Vol 312 ◽

pp. 106654

Author(s):

Dan Liu ◽

Joseph R. Smyth ◽

Xi Zhu ◽

Yunfan Miao ◽

Yancheng Hu ◽

...

Keyword(s):

High Pressure ◽

Hydrogen Bonds ◽

Thermodynamic Properties ◽

Vibrational Spectra

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Thermodynamic properties of naphthoxazole and naphthothiazole derivatives: Experimental and computational studies

The Journal of Chemical Thermodynamics ◽

10.1016/j.jct.2018.07.008 ◽

2018 ◽

Vol 127 ◽

pp. 45-55 ◽

Author(s):

Ana L.R. Silva ◽

Victor M.F. Morais ◽

Maria D.M.C. Ribeiro da Silva

Keyword(s):

Thermodynamic Properties ◽

Computational Studies

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Vibrational spectra and thermodynamic properties of tetrachlorothiophene

Spectrochimica Acta Part A Molecular Spectroscopy ◽

10.1016/0584-8539(76)80304-2 ◽

1976 ◽

Vol 32 (5) ◽

pp. 1159-1163 ◽

Author(s):

J.A. Faniran

Keyword(s):

Thermodynamic Properties ◽

Vibrational Spectra

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Vibrational spectra of MO (M = Sn/Pb) in their bulk and single-layer forms: role of avoided crossing in their thermodynamic properties

Bulletin of Materials Science ◽

10.1007/s12034-020-02172-w ◽

2020 ◽

Vol 43 (1) ◽

Author(s):

Raju K Biswas ◽

Swapan K Pati

Keyword(s):

Thermodynamic Properties ◽

Vibrational Spectra ◽

Single Layer ◽

Avoided Crossing

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Vibrational Spectra and Wavefunction investigation for Antidepressant drug of Amoxapine based on Quantum Computational studies

Chemical Data Collections ◽

10.1016/j.cdc.2021.100699 ◽

2021 ◽

pp. 100699

Author(s):

S. Sarala ◽

S.K. Geetha ◽

S. Muthu ◽

Fazilath Basha Asif

Keyword(s):

Vibrational Spectra ◽

Antidepressant Drug ◽

Computational Studies

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