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Journal of Molecular Modeling
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August 18, 2021
HMX/NMP cocrystal explosive: first-principles calculations
Yi-Hua Du, Fu-Sheng Liu, Qi-Jun Liu, et al.
Journal of Molecular Modeling
|
February 6, 2020
Vibrational, thermodynamic, and dielectric properties of ε-CL-20: first-principles calculations
Dan Hong, Wei Zeng, Han Qin, et al.
Journal of Molecular Modeling
|
October 13, 2022
First-principle calculations of the structural, vibrational, mechanical, electronic, and optical properties of ε-O<sub>8</sub> under pressure
Shi-Yuan Bao, Dan Hong, Yi-Chen Lu, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 12, 2025
Pressure-induced superconductivity in alkaline earth metal halides Mg<sub>a</sub>X<sub>b</sub> (X = Br, I) from first principles calculations
Shuang Zhao, Juan Gao, Zhen Jiao, et al.
Journal of Molecular Modeling
|
December 13, 2023
Structural, electronic, and optical properties of three types Ca<sub>3</sub>N<sub>2</sub> from first-principles study
Jia-Hao Tan, Yong-Yi Lin, Qi-Jun Liu, et al.
Photochemistry and Photobiology
|
April 3, 2014
Observation of magnetic field effects on transient fluorescence spectra of cryptochrome 1 from homing pigeons
Xian-li Du, Jing Wang, Wei-song Pan, et al.
Journal of Molecular Modeling
|
November 24, 2023
Structures, cold pressure lines, and electronic properties of cubic Al<sub>2</sub>O and AlO: First-principles calculations
Ning-Chao Zhang, Shi-Yi Wang, Peng Wang, et al.
Journal of Molecular Modeling
|
August 8, 2021
Electronic, optical, and vibrational properties of B<sub>3</sub>N<sub>3</sub>H<sub>6</sub> from first-principles calculations
Yun-Dan Gan, Han Qin, Fu-Sheng Liu, et al.
The Journal of Physical Chemistry. A
|
May 15, 2024
Molecular Structures, Dipole Moments, and Electronic Properties of β-HMX under External Electric Field from First-Principles Calculations
Yu-Shi Liu, Wei Zeng, Fu-Sheng Liu, et al.
Journal of Molecular Modeling
|
December 13, 2023
The structural and electronic properties of (001) surface of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) with first-principles calculations
Han Qin, Qian Zheng, Ying-Xu Zhou, et al.
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Search research articles
Search
Showing results (41-50 of 74) with videos related to
Sort By:
Page
of 8
Journal of Molecular Modeling
|
August 18, 2021
HMX/NMP cocrystal explosive: first-principles calculations
Yi-Hua Du, Fu-Sheng Liu, Qi-Jun Liu, et al.
Journal of Molecular Modeling
|
February 6, 2020
Vibrational, thermodynamic, and dielectric properties of ε-CL-20: first-principles calculations
Dan Hong, Wei Zeng, Han Qin, et al.
Journal of Molecular Modeling
|
October 13, 2022
First-principle calculations of the structural, vibrational, mechanical, electronic, and optical properties of ε-O<sub>8</sub> under pressure
Shi-Yuan Bao, Dan Hong, Yi-Chen Lu, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 12, 2025
Pressure-induced superconductivity in alkaline earth metal halides Mg<sub>a</sub>X<sub>b</sub> (X = Br, I) from first principles calculations
Shuang Zhao, Juan Gao, Zhen Jiao, et al.
Journal of Molecular Modeling
|
December 13, 2023
Structural, electronic, and optical properties of three types Ca<sub>3</sub>N<sub>2</sub> from first-principles study
Jia-Hao Tan, Yong-Yi Lin, Qi-Jun Liu, et al.
Photochemistry and Photobiology
|
April 3, 2014
Observation of magnetic field effects on transient fluorescence spectra of cryptochrome 1 from homing pigeons
Xian-li Du, Jing Wang, Wei-song Pan, et al.
Journal of Molecular Modeling
|
November 24, 2023
Structures, cold pressure lines, and electronic properties of cubic Al<sub>2</sub>O and AlO: First-principles calculations
Ning-Chao Zhang, Shi-Yi Wang, Peng Wang, et al.
Journal of Molecular Modeling
|
August 8, 2021
Electronic, optical, and vibrational properties of B<sub>3</sub>N<sub>3</sub>H<sub>6</sub> from first-principles calculations
Yun-Dan Gan, Han Qin, Fu-Sheng Liu, et al.
The Journal of Physical Chemistry. A
|
May 15, 2024
Molecular Structures, Dipole Moments, and Electronic Properties of β-HMX under External Electric Field from First-Principles Calculations
Yu-Shi Liu, Wei Zeng, Fu-Sheng Liu, et al.
Journal of Molecular Modeling
|
December 13, 2023
The structural and electronic properties of (001) surface of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) with first-principles calculations
Han Qin, Qian Zheng, Ying-Xu Zhou, et al.
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of 8