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Nonequilibrium Heating/Cooling Effects in a Mach Number 10 Hydrogen-Fueled Scramjet
期刊论文
JOURNAL OF PROPULSION AND POWER, 2024, 页码: 17
作者:
Liu H(刘杭)
;
Yao W(姚卫)
;
Zhang X(张旭)
;
Zhang XY(张晓源)
;
Liu, Jianwen
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2024/03/11
Scramjet
Dynamic Zone Flamelet Model
High Enthalpy Shock Tunnel
Combustors
Improved Delayed Detached Eddy Simulation
Vibrational Energy
nonequilibrium heating
cooling effects
thermal nonequilibrium
chemical nonequilibrium
hydrogen
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
Vibrational spectrum of 1-ethyl-3-methylimidazolium tetrafluoroborate on graphene surface
期刊论文
Journal of Molecular Liquids, 2020, 卷号: 311
作者:
Zhang, Jiao
;
Guan, Yongji
;
Wang, Jinyuan
;
Yang, Fulong
;
Jing, Huanwang
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2020/11/14
Density functional theory
Energy harvesting
Hydrogen bonds
Ionic liquids
Ions
Red Shift
Vibrational spectra
1-ethyl-3-methylimidazolium tetrafluoroborate
Dispersion interaction
Interaction energies
Ionic liquid (ils)
Novel solvents
Structural characteristics
Vibrational bands
Phonon dissipation in friction with commensurate-incommensurate transition between graphene membranes
期刊论文
Nanotechnology, 2020, 卷号: 31, 期号: 28
作者:
Dong, Yun
;
Tao, Yi
;
Feng, Ruicheng
;
Zhang, Yan
;
Duan, Zaoqi
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2020/11/14
Blue shift
Energy dissipation
Friction
Molecular dynamics
Strain
Commensurate-incommensurate transition
Contact surface
Friction process
In-plane strains
Molecular dynamics simulations
Phonon spectrum
Phonon transport
Vibrational density of state
Theoretical insights into excited-state process for the novel 2,3-bis[(4-diethylamino-2-hydroxybenzylidene)amino]but-2-enedinitrile system
期刊论文
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2019, 页码: 8
作者:
Xu, Lei
;
Zhang, Tianjie
;
Yang, Dapeng
;
Zhang, Qiaoli
收藏
  |  
浏览/下载:52/0
  |  
提交时间:2019/12/02
charge redistribution
ESDPT
intramolecular hydrogen bonds
IR vibrational spectra
potential energy curves
A TD-DFT investigation of the photo-induced excited state intramolecular proton transfer dynamics for the novel 5,5 '-(9,9-dihexyl-9H-fluorene-2,7-diyl)bis(2-benzo[d]thiazol-2-yl)phenol) system
期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 页码: 7
作者:
Yang, Dapeng
;
Song, Xiaoyan
;
Zhang, Tianjie
;
Gao, Haiyan
收藏
  |  
浏览/下载:55/0
  |  
提交时间:2019/12/02
charge density difference
dual hydrogen bonds
electronic densities
infrared vibrational spectra
potential energy surfaces
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
收藏
  |  
浏览/下载:51/0
  |  
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:66/0
  |  
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
Phonon-mediated excitation energy transfer in a detuned multi-sites system
期刊论文
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 2019, 卷号: 52
作者:
Chen, Hao
;
Wang, Xin
;
Han, Cui-Ming
;
Li, Hong-Rong
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/11/19
quantum interference
excitation energy transfer
high-energy intramolecular vibrational motion
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