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期刊论文 [92]
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浏览/检索结果:
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The influence of wall properties on convective heat transfer in isothermal nanochannel
期刊论文
Journal of Molecular Liquids, 2021, 卷号: 324
作者:
Yao, Shuting
;
Wang, Jiansheng
;
Liu, Xueling
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2021/03/02
Atoms
Channel flow
Coatings
Liquids
Molecular dynamics
Thickness measurement
Convective heat transfer
Hydrophilic and hydrophobic
Interatomic interactions
Interfacial velocities
Molecular dynamics simulations
Solid-liquid interaction
Solid-wall properties
Vibrational density of state
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:13/0
  |  
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
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:67/0
  |  
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
Unraveling Vibrational Wavepacket Dynamics using Femtosecond Ion Yield Spectroscopy and Photoelectron Imaging
期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2019, 卷号: 32, 期号: 1, 页码: 35-45
作者:
Zhang, Bing
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  |  
浏览/下载:27/0
  |  
提交时间:2019/06/24
Vibrational wavepacket
Time-resolved ion yield
Photoelectron imaging
Excited state dynamics
Singlet Fission from Upper Excited Electronic States of Cofacial Perylene Dimer
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2019, 卷号: 10, 页码: 2428-2433
作者:
Ni, Wenjun
;
Gurzadyan, Gagik G.
;
Zhao, Jianzhang
;
Che, Yuanyuan
;
Li, Xiaoxin
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  |  
浏览/下载:55/0
  |  
提交时间:2019/12/02
Electronic states
Excited states
Polycyclic aromatic hydrocarbons, Dimer cations
Energy thresholds
Excited electronic state
Higher efficiency
Internal conversions
Relaxed state
Time-scales
Vibrational cooling, Singlet fission
Rovibrational cooling of photoassociated Rb-85(2) molecules at millikelvin temperature
期刊论文
PHYSICAL REVIEW A, 2019, 卷号: 99
作者:
Wang, Meng
;
Lyu, Bing-Kuan
;
Li, Jing-Lun
;
Wang, Gao-Ren
;
Chen, Mao-Du
收藏
  |  
浏览/下载:62/0
  |  
提交时间:2019/12/02
Cooling
Molecules, Cooling process
Intermediate state
Millikelvin temperatures
Photoassociation
Rotational state
Rovibrational levels
Vibrational ground state
Vibrational state, Ground state
Non-adiabatic state-to-state dynamic studies of Na(3p) + H-2(nu=1, 2, 3; j=0) -> NaH plus H reactions
期刊论文
CHEMICAL PHYSICS LETTERS, 2019, 卷号: 723, 页码: 128-132
作者:
Buren, Bayaer
;
Yang, Zijiang
;
Chen, Maodu
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2019/12/02
Time-dependent wave packet method
Non-adiabatic state-to-state reaction
Ro-vibrational state distribution
Integral cross section
STM and DFT studies of CO2 adsorption on ONE-Cu(100) surface
期刊论文
SURFACE SCIENCE, 2019, 卷号: 679, 页码: 50-55
作者:
Tjung, Steven J.
;
Zhang, Qiang
;
Repicky, Jacob J.
;
Yuk, Simuck F.
;
Nie, Xiaowa
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2019/12/02
Adsorption
Carbon dioxide
Density functional theory
Diffusion barriers
Molecules
Scanning tunneling microscopy, Adsorption energies
Adsorption site
Density of state
Imaging conditions
Molecular state
Tunneling spectroscopy
Vibrational modes
Weak adsorption, Copper compounds
Theoretical study and experimental validation on the optical emission processes in "free" and "locked" pyrazine derivatives
期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2019, 卷号: 223
作者:
Zhang, Tian
;
Meng, Fanze
;
Lin, Lili
;
Luo, Juanjuan
;
Wu, Haozhong
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2019/12/11
Pyrazine derivatives
Excited-state properties
Vibrational relaxation
Aggregation-induced emission
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