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Modeling and analysis of the static bending of piezoelectric nanowires with the consideration of surface effects
期刊论文
Journal of the Brazilian Society of Mechanical Sciences and Engineering, 2022, 卷号: 44, 期号: 8
作者:
Wang, Liyuan
;
Ou, Zhiying
收藏
  |  
浏览/下载:40/0
  |  
提交时间:2022/08/09
Nanocantilevers
Piezoelectricity
Potential energy
Bending
Bending rigidity
Effective bending rigidity
Euler-bernoulli beam models
Induced charges
Modelling and analysis
Piezoelectric
Static bending
Surface effect
Surface energy density
Vibrational Energy Transfer in CO+N-2 Collisions: A Database for V-V and V-T/R Quantum-Classical Rate Coefficients
期刊论文
MOLECULES, 2021, 卷号: 26, 期号: 23, 页码: 27
作者:
Hong, Qizhen
;
Bartolomei, Massimiliano
;
Coletti, Cecilia
;
Lombardi, Andrea
;
Sun, Quanhua
收藏
  |  
浏览/下载:36/0
  |  
提交时间:2022/03/05
vibrational energy transfer
inelastic scattering
potential energy surface
rate coefficients database
quantum-classical nuclear dynamics
quasi-classical trajectories
Physically inspired atom-centered symmetry functions for the construction of high dimensional neural network potential energy surfaces
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2021, 卷号: 186, 页码: 7
作者:
Zhang, Kangyu
;
Yin, Lichang
;
Liu, Gang
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  |  
浏览/下载:42/0
  |  
提交时间:2021/03/15
Machine learning
Potential energy surface
Atom centered symmetry function
Solid electrolyte
Molecular dynamics simulation
Reconsider the fluorescence properties of 5-ASA and its sensing mechanism for iodide ion
期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2019, 卷号: 223, 页码: 8
作者:
Liu, Lei
;
Sun, Bingqing
;
Pen, Jiancheng
;
Mao, Yueyuan
;
Ding, Ran
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  |  
浏览/下载:230/0
  |  
提交时间:2019/12/02
I- detecting
Potential energy surface
Transition state
Charge transfer
Proton transfer
An ab initio-based global potential energy surface for the SH3 system and full-dimensional state-to-state quantum dynamics study for the H-2 + HS -> H2S + H reaction
期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2019, 卷号: 40, 期号: 10, 页码: 1151-1160
作者:
Liu, Shu
;
Xu, Xin
;
Chen, Jun
;
Zhang, Dong H.
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  |  
浏览/下载:332/0
  |  
提交时间:2019/06/20
potential energy surface
differential cross sections
H-2 + SH
quantum dynamics
time-dependent wave packet
An ab initio-based global potential energy surface for the sh3 system and full-dimensional state-to-state quantum dynamics study for the h-2 + hs -> h2s + h reaction
期刊论文
Journal of computational chemistry, 2019, 卷号: 40, 期号: 10, 页码: 1151-1160
作者:
Xu, Xin
;
Chen, Jun
;
Liu, Shu
;
Zhang, Dong H.
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  |  
浏览/下载:307/0
  |  
提交时间:2019/05/08
Potential energy surface
Differential cross sections
H-2 + sh
Quantum dynamics
Time-dependent wave packet
Excited state hydrogen bond and proton transfer mechanism for (2-hydroxy-4-methoxyphenyl)(phenyl)-methanone azine: A theoretical investigation
期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2019, 卷号: 210, 页码: 159-164
作者:
Song, Xiaoyan
;
Zhang, Tianjie
;
Zhang, Qiaoli
;
Yang, Dapeng
;
Yang, Guang
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  |  
浏览/下载:54/0
  |  
提交时间:2019/06/20
Dual intramolecular hydrogen bonds
Steady state spectra
Infrared vibrational spectra
Frontier molecular orbital
Charge density difference
Potential energy surface
Excited state hydrogen bond and proton transfer mechanism for (2-hydroxy-4-methoxyphenyl)(phenyl)-methanone azine: a theoretical investigation
期刊论文
Spectrochimica acta part a-molecular and biomolecular spectroscopy, 2019, 卷号: 210, 页码: 159-164
作者:
Yang, Dapeng
;
Yang, Guang
;
Jia, Min
;
Song, Xiaoyan
;
Zhang, Qiaoli
收藏
  |  
浏览/下载:70/0
  |  
提交时间:2019/05/08
Dual intramolecular hydrogen bonds
Steady state spectra
Infrared vibrational spectra
Frontier molecular orbital
Charge density difference
Potential energy surface
A new potential energy surface of the LiHO+ system and the dynamics studies of the O + LiH+ reaction
期刊论文
CHEMICAL PHYSICS LETTERS, 2019, 卷号: 715, 页码: 123-128
作者:
Wang, Meishan
;
He, Di
;
Zhang, Tianqi
;
Yuan, Jiuchuan
收藏
  |  
浏览/下载:34/0
  |  
提交时间:2019/06/20
Potential energy surface
Quasi-classical trajectory method
Reaction dynamics
Differential cross section
Integral reaction cross section
Evaluating the influence of tooth surface wear on TVMS of planetary gear set
期刊论文
MECHANISM AND MACHINE THEORY, 2019, 卷号: 136, 页码: 206-223
作者:
Shen, Zhixian
;
Qiao, Baijie
;
Yang, Laihao
;
Luo, Wei
;
Chen, Xuefeng
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2019/11/19
Planetary gear sets
Time-varying mesh stiffness
Potential energy method
Tooth surface wear
Archard's wear equation
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