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Journal of Molecular Modeling
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January 18, 2023
Effects of pressure on structural, electronic, optical, and mechanical properties of nitrogen-rich energetic material: 6-azido-8-nitrotetrazolo[1,5-b]pyridazine-7-amine (3at)
Hong-Yan Li, Ding Wei, Yi-Hua Du, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|
July 30, 2023
Pressure and temperature effects on the Raman spectra of LLM-105
Wen-Shuo Yuan, Dan Hong, Ying-Xi Luo, et al.
Journal of Molecular Modeling
|
September 7, 2022
The structural, mechanical and electronic properties of Ti-Al-based compounds by first-principles calculations
Yi-Yu Su, Xue-Chen Liu, Wen-Xuan Zhou, et al.
Journal of Molecular Modeling
|
November 27, 2019
First-principle calculations of electronic, vibrational, and thermodynamic properties of 1,3-diamino-2,4,6-trinitrobenzene
Wei-Hong Liu, Wei Zeng, Han Qin, et al.
Journal of Molecular Modeling
|
June 23, 2021
The study of spectroscopy and vibrational assignments of high nitrogen material 1,1'-azobis-1,2,3-triazole
Wen-Jin Zhang, Xin Ye, Ning-Chao Zhang, et al.
Journal of Molecular Modeling
|
March 27, 2020
The Raman and IR vibration modes of metal pentazolate hydrates [Na(H<sub>2</sub>O)(N<sub>5</sub>)]·2H<sub>2</sub>O and [Mg(H<sub>2</sub>O)<sub>6</sub>(N<sub>5</sub>)<sub>2</sub>]·4H<sub>2</sub>O
Han Qin, Sheng-Hai Zhu, Yun-Dan Gan, et al.
Journal of Molecular Modeling
|
May 26, 2021
First-principles calculation of electronic, vibrational, and thermodynamic properties of triaminoguanidinium nitrate
Wen-Guang Li, Yun-Dan Gan, Zhi-Xin Bai, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 26, 2019
A new criterion for the prediction of solid-state phase transition in TMDs
Sheng-Hai Zhu, Bao-Luo Yan, Wei Zeng, et al.
Journal of Molecular Modeling
|
June 9, 2019
A comparative study of the vibrational and thermodynamic properties of α-RDX and γ-RDX under ambient conditions
Sheng-Hai Zhu, Han Qin, Wei Zeng, et al.
Journal of Molecular Modeling
|
February 14, 2019
Influences of pressure on structural and electronic properties of four types of HMX
Han Qin, Meng-Fan Shi, Zhi-Jie Feng, et al.
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Showing results (61-70 of 74) with videos related to
Sort By:
Page
of 8
Journal of Molecular Modeling
|
January 18, 2023
Effects of pressure on structural, electronic, optical, and mechanical properties of nitrogen-rich energetic material: 6-azido-8-nitrotetrazolo[1,5-b]pyridazine-7-amine (3at)
Hong-Yan Li, Ding Wei, Yi-Hua Du, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|
July 30, 2023
Pressure and temperature effects on the Raman spectra of LLM-105
Wen-Shuo Yuan, Dan Hong, Ying-Xi Luo, et al.
Journal of Molecular Modeling
|
September 7, 2022
The structural, mechanical and electronic properties of Ti-Al-based compounds by first-principles calculations
Yi-Yu Su, Xue-Chen Liu, Wen-Xuan Zhou, et al.
Journal of Molecular Modeling
|
November 27, 2019
First-principle calculations of electronic, vibrational, and thermodynamic properties of 1,3-diamino-2,4,6-trinitrobenzene
Wei-Hong Liu, Wei Zeng, Han Qin, et al.
Journal of Molecular Modeling
|
June 23, 2021
The study of spectroscopy and vibrational assignments of high nitrogen material 1,1'-azobis-1,2,3-triazole
Wen-Jin Zhang, Xin Ye, Ning-Chao Zhang, et al.
Journal of Molecular Modeling
|
March 27, 2020
The Raman and IR vibration modes of metal pentazolate hydrates [Na(H<sub>2</sub>O)(N<sub>5</sub>)]·2H<sub>2</sub>O and [Mg(H<sub>2</sub>O)<sub>6</sub>(N<sub>5</sub>)<sub>2</sub>]·4H<sub>2</sub>O
Han Qin, Sheng-Hai Zhu, Yun-Dan Gan, et al.
Journal of Molecular Modeling
|
May 26, 2021
First-principles calculation of electronic, vibrational, and thermodynamic properties of triaminoguanidinium nitrate
Wen-Guang Li, Yun-Dan Gan, Zhi-Xin Bai, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 26, 2019
A new criterion for the prediction of solid-state phase transition in TMDs
Sheng-Hai Zhu, Bao-Luo Yan, Wei Zeng, et al.
Journal of Molecular Modeling
|
June 9, 2019
A comparative study of the vibrational and thermodynamic properties of α-RDX and γ-RDX under ambient conditions
Sheng-Hai Zhu, Han Qin, Wei Zeng, et al.
Journal of Molecular Modeling
|
February 14, 2019
Influences of pressure on structural and electronic properties of four types of HMX
Han Qin, Meng-Fan Shi, Zhi-Jie Feng, et al.
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