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浏览/检索结果:
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Quantum-classical rate coefficient datasets of vibrational energy transfer in carbon monoxide based on highly accurate potential energy surface
期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2024, 卷号: 160, 期号: 8, 页码: 15
作者:
Hong, Qizhen
;
Storchi, Loriano
;
Coletti, Cecilia
;
Li, Jia
;
Sun, Quanhua
收藏
  |  
浏览/下载:0/0
  |  
提交时间:2024/05/14
Investigation of high enthalpy thermochemical nonequilibrium flow over spheres
期刊论文
PHYSICS OF FLUIDS, 2024, 卷号: 36, 期号: 1, 页码: 10
作者:
Guo, Jinghui
;
Wang XY(王小永)
;
Li, Sijia
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2024/02/26
Activated dissociation of H
2
on the Cu(001) surface: The role of quantum tunneling
期刊论文
CHINESE PHYSICS B, 2023, 卷号: 32
作者:
Yu, Xiaofan
;
Tong, Yangwu
;
Yang, Yong
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  |  
浏览/下载:5/0
  |  
提交时间:2023/11/10
H-2
Cu(001)
dissociation
quantum tunneling
density functional theory (DFT)
transfer matrix method
Inelastic N-2+H-2 collisions and quantum-classical rate coefficients: large datasets and machine learning predictions
期刊论文
EUROPEAN PHYSICAL JOURNAL D, 2023, 卷号: 77, 期号: 7, 页码: 128
作者:
Hong QZ(洪启臻)
;
Storchi, Loriano
;
Bartolomei, Massimiliano
;
Pirani, Fernando
;
Sun QH(孙泉华)
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2023/09/05
Vibrational deactivation in O(P-3) + N-2 collisions: from an old problem towards its solution
期刊论文
PLASMA SOURCES SCIENCE & TECHNOLOGY, 2022, 卷号: 31, 期号: 8, 页码: 16
作者:
Hong, Qizhen
;
Bartolomei, Massimiliano
;
Pirani, Fernando
;
Esposito, Fabrizio
;
Sun, Quanhua
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2022/09/16
vibrational relaxation
non-adiabatic transitions
N-2 + O collisions
V-T rate coefficients
V-E rate coefficients
Tuning the interfacial friction force and thermal conductance by altering phonon properties at contact interface
期刊论文
Nanotechnology, 2022, 卷号: 33, 期号: 23
作者:
Dong, Yun
;
Ding, Yusong
;
Rui, Zhiyuan
;
Lian, Fangming
;
Hui, Weibin
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2022/04/21
Atoms
Cutoff frequency
Energy dissipation
Heat transfer
Molecular dynamics
Phonons
Thermal conductivity
Atomic mass
Contact surface
Friction force
Interfacial friction
Interfacial thermal conductance
Phonon mode
Phonon properties
Phonon spectrum
Solid/solid interfaces
Thermal conductance
Room temperature bilayer water structures on a rutile TiO2(110) surface: hydrophobic or hydrophilic?
期刊论文
CHEMICAL SCIENCE, 2022, 卷号: 13, 期号: 35, 页码: 10546-10554
作者:
Qu, Mengyang
;
Huang, Gang
;
Liu, Xinyi
;
Nie, Xuechuan
;
Qi, Chonghai
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2023/01/16
SUM-FREQUENCY GENERATION
MOLECULAR-DYNAMICS
INTERFACIAL WATER
TITANIUM-DIOXIDE
ELECTRON-TRANSFER
TIO2
SPECTROSCOPY
ADSORPTION
LAYER
PHOTOOXIDATION
Dynamics of diverse coherences in primary charge separation of bacterial reaction center at 77 K revealed by wavelet analysis
期刊论文
PHOTOSYNTHESIS RESEARCH, 2022, 卷号: 151, 期号: 3, 页码: 225-234
作者:
Ma, Fei
;
Romero, Elisabet
;
Jones, Michael R.
;
Novoderezhkin, Vladimir, I
;
Yu, Long-Jiang
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  |  
浏览/下载:0/0
  |  
提交时间:2024/03/07
Bacterial reaction center
Primary charge separation
Quantum coherence
Wavelet analysis
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:34/0
  |  
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
Vibrational Energy Transfer in CO+N2 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: 7152
作者:
Hong Qizhen
;
Bartolomei M
;
Coletti C
;
Lombardi A
;
Sun Quanhua
收藏
  |  
浏览/下载:35/0
  |  
提交时间:2022/01/06
vibrational energy transfer
inelastic scattering
rate coefficients database
quantum-classical nuclear dynamics
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