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Qi-Jun Liu

Showing results (51-60 of 74) with videos related to

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Physical Chemistry Chemical Physics : PCCP|October 6, 2023
Theoretical study on the correlation between the structure, excess energy, surface energy, electronic structure, nitro charge, and friction sensitivity of <i>N</i>,<i>N</i>'-dinitroethylenediamine (EDNA)Hong-Yan Li, Yun-Dan Gan, Fu-Sheng Liu, et al.
Journal of Molecular Modeling|April 22, 2021
First-principles calculations of effects of pressure on paramagnetic, ferromagnetic, and antiferromagnetic spin-web Cu<sub>3</sub>TeO<sub>6</sub>Yi-Hua Du, Wei Zeng, Bin Tang, et al.
Journal of Molecular Modeling|January 24, 2022
Structural, electronic, and mechanical properties of Y<sub>7</sub>Ru<sub>4</sub>InGe<sub>12</sub>: a first-principle studyGao-Min Wang, Wei Zeng, Bin Tang, et al.
Physical Chemistry Chemical Physics : PCCP|December 12, 2019
Judging the phase transition pressure of the unknown parent phase if the resulting state is knownSheng-Hai Zhu, Han Qin, Wei Zeng, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|February 22, 2023
Raman spectra and vibrational properties of FOX-7 under pressure and temperature: First-principles calculationsWen-Shuo Yuan, Qi-Jun Liu, Dan Hong, et al.
Journal of Molecular Modeling|July 19, 2020
Effects of molecular vacancy and ethylenediamine on structural and electronic properties of CH<sub>3</sub>NO<sub>2</sub> surfacesZhi-Xin Bai, Wei Zeng, Bin Tang, et al.
Physical Chemistry Chemical Physics : PCCP|February 13, 2023
Electrons and phonons of the discharge products in the lithium-oxygen and lithium-sulfur batteries from first-principles calculationsCheng-Lu Jiang, Ming-Lei Yan, Ping Yang, et al.
Journal of Molecular Modeling|May 19, 2019
A systematic study of the surface structures and energetics of CH<sub>3</sub>NO<sub>2</sub> surfaces by first-principles calculationsMi Zhong, Han Qin, Qi-Jun Liu, et al.
Journal of Molecular Modeling|September 27, 2018
Effects of different dopant elements on structures, electronic properties, and sensitivity characteristics of nitromethaneMi Zhong, Han Qin, Qi-Jun Liu, et al.
Physical Chemistry Chemical Physics : PCCP|April 14, 2022
Doping effects on the antibonding states and carriers of two-dimensional PC<sub>6</sub>Mi Zhong, Wei Zeng, Han Qin, et al.
Pageof 8

Showing results (51-60 of 74) with videos related to

Sort By:
Pageof 8
Physical Chemistry Chemical Physics : PCCP|October 6, 2023
Theoretical study on the correlation between the structure, excess energy, surface energy, electronic structure, nitro charge, and friction sensitivity of <i>N</i>,<i>N</i>'-dinitroethylenediamine (EDNA)Hong-Yan Li, Yun-Dan Gan, Fu-Sheng Liu, et al.
Journal of Molecular Modeling|April 22, 2021
First-principles calculations of effects of pressure on paramagnetic, ferromagnetic, and antiferromagnetic spin-web Cu<sub>3</sub>TeO<sub>6</sub>Yi-Hua Du, Wei Zeng, Bin Tang, et al.
Journal of Molecular Modeling|January 24, 2022
Structural, electronic, and mechanical properties of Y<sub>7</sub>Ru<sub>4</sub>InGe<sub>12</sub>: a first-principle studyGao-Min Wang, Wei Zeng, Bin Tang, et al.
Physical Chemistry Chemical Physics : PCCP|December 12, 2019
Judging the phase transition pressure of the unknown parent phase if the resulting state is knownSheng-Hai Zhu, Han Qin, Wei Zeng, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|February 22, 2023
Raman spectra and vibrational properties of FOX-7 under pressure and temperature: First-principles calculationsWen-Shuo Yuan, Qi-Jun Liu, Dan Hong, et al.
Journal of Molecular Modeling|July 19, 2020
Effects of molecular vacancy and ethylenediamine on structural and electronic properties of CH<sub>3</sub>NO<sub>2</sub> surfacesZhi-Xin Bai, Wei Zeng, Bin Tang, et al.
Physical Chemistry Chemical Physics : PCCP|February 13, 2023
Electrons and phonons of the discharge products in the lithium-oxygen and lithium-sulfur batteries from first-principles calculationsCheng-Lu Jiang, Ming-Lei Yan, Ping Yang, et al.
Journal of Molecular Modeling|May 19, 2019
A systematic study of the surface structures and energetics of CH<sub>3</sub>NO<sub>2</sub> surfaces by first-principles calculationsMi Zhong, Han Qin, Qi-Jun Liu, et al.
Journal of Molecular Modeling|September 27, 2018
Effects of different dopant elements on structures, electronic properties, and sensitivity characteristics of nitromethaneMi Zhong, Han Qin, Qi-Jun Liu, et al.
Physical Chemistry Chemical Physics : PCCP|April 14, 2022
Doping effects on the antibonding states and carriers of two-dimensional PC<sub>6</sub>Mi Zhong, Wei Zeng, Han Qin, et al.
Pageof 8