中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
机构
大连化学物理研究所 [9]
物理研究所 [7]
金属研究所 [7]
化学研究所 [7]
过程工程研究所 [2]
兰州化学物理研究所 [2]
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OAI收割 [39]
iSwitch采集 [1]
内容类型
期刊论文 [40]
发表日期
2021 [2]
2020 [1]
2019 [1]
2018 [2]
2017 [1]
2016 [2]
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学科主题
Physics [1]
物理化学与绿色催化 [1]
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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
OAI收割
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:44/0
  |  
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
Ionic liquid-air interface probed by sum frequency generation spectroscopy and molecular dynamics simulation: influence of alkyl chain length and anion volume
期刊论文
OAI收割
MOLECULAR SIMULATION, 2021, 页码: 11
作者:
Huo, Feng
;
Ding, Jian
;
Tong, Jiahuan
;
He, Hongyan
  |  
收藏
  |  
浏览/下载:32/0
  |  
提交时间:2022/06/15
Ionic liquids
interface
sum-frequency generation vibrational spectroscopy
molecular dynamics simulation
Raman Spectroscopic and Theoretical Study of Scandium Fluoride and Oxyfluoride Anions in Molten FLiNaK
期刊论文
OAI收割
JOURNAL OF PHYSICAL CHEMISTRY B, 2020, 卷号: 124, 期号: 30, 页码: 6671-6678
作者:
Wang, CY
;
Chen, XT
;
Wei, R
;
Gong, Y
  |  
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2021/09/06
DENSITY-FUNCTIONAL THEORY
HIGH-TEMPERATURE NMR
BIS(TRIFLUOROMETHANESULFONYL) IMIDE ANION
IONIC LIQUID
VIBRATIONAL-SPECTRA
RARE-EARTH
MOLECULAR-DYNAMICS
LOCAL-STRUCTURE
BINARY MELTS
BASIS-SET
Unraveling Vibrational Wavepacket Dynamics using Femtosecond Ion Yield Spectroscopy and Photoelectron Imaging
期刊论文
OAI收割
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2019, 卷号: 32, 期号: 1, 页码: 35-45
作者:
Zhang, Bing
  |  
收藏
  |  
浏览/下载:33/0
  |  
提交时间:2019/06/24
Vibrational wavepacket
Time-resolved ion yield
Photoelectron imaging
Excited state dynamics
Influence of External Electric Field on Vibrational Spectrum of Imidazolium-Based Ionic Liquids Probed by Molecular Dynamics Simulation
期刊论文
OAI收割
ACTA PHYSICO-CHIMICA SINICA, 2018, 卷号: 8, 期号: 34, 页码: 912-919
作者:
Deng YQ(邓友全)
;
Zhang XP(张晓萍)
;
Chen WQ(陈文琼)
;
Guan YJ(关永吉)
  |  
收藏
  |  
浏览/下载:43/0
  |  
提交时间:2018/12/29
Vibrational Spectrum
External Electric Field
Ionic Liquid
Molecular Dynamics Simulation
Hydrogen-Bonding Interactions in Pyridinium-Based Ionic Liquids and Dimethyl Sulfoxide Binary Systems: A Combined Experimental and Computational Study
期刊论文
OAI收割
ACS OMEGA, 2018, 卷号: 3, 期号: 2, 页码: 1823, 1833
作者:
Zhang, YQ
;
He, HY
;
Zhang, SJ
;
Fan, MH
;
Zhang, Yaqin
  |  
收藏
  |  
浏览/下载:42/0
  |  
提交时间:2018/12/29
EXTRACTIVE DESULFURIZATION
VIBRATIONAL SPECTROSCOPY
MOLECULAR-DYNAMICS
CRYSTAL-STRUCTURE
CELLULOSE
MIXTURES
WATER
VISCOSITY
CO2
DISSOLUTION
Ultrafast two-dimensional infrared spectroscopy for molecular structures and dynamics with expanding wavelength range and increasing sensitivities: from experimental and computational perspectives
期刊论文
OAI收割
INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY, 2017, 卷号: 36, 期号: 3, 页码: 377-431
作者:
Wang, Jianping
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收藏
  |  
浏览/下载:56/0
  |  
提交时间:2018/04/11
Broadband Two-dimensional Infrared Spectroscopy
Anharmonic Potential
Anharmonicity
All-mode Vibrational Analysis
Correlated Vibrations
Molecular Structures And Dynamics
Isotopic Labelling
Surface-enhanced Infrared
Ab Initio Computation
Molecular Dynamics Simulations
Mid-ir Continuum
Overtone 2d Ir
3d Ir
Moderately strong pump-induced ultrafast dynamics in solution
期刊论文
iSwitch采集
Chemical physics, 2016, 卷号: 476, 页码: 17-22
作者:
Shen, H. F.
;
Zhang, Yizhu
;
Yan, T. -M.
;
Wang, Z. Y.
;
Jiang, Y. H.
收藏
  |  
浏览/下载:30/0
  |  
提交时间:2019/05/09
Pump-probe experiment
Resonant impulsive stimulated raman scattering
Wavepacket dynamics
Vibrational coherence
Photoinduced hydrogen-bonding dynamics
期刊论文
OAI收割
JOURNAL OF MOLECULAR MODELING, 2016, 卷号: 22, 期号: 9
作者:
Chu, Tian-shu
;
Xu, Jinmei
  |  
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2019/06/20
Dft/tddft Calculations
Electronic And Vibrational Dynamics
Femtolaser Spectroscopy Techniques
Photoinduced Hydrogen Bonding Dynamics
Photoinduced Phenomena
Ultrafast Vibrational Relaxation Dynamics of C=O and C=C Stretching Modes of Ethyl Acetoacetate in Deuterated Water and Cyclohexane
期刊论文
OAI收割
ACTA CHIMICA SINICA, 2013, 卷号: 71, 期号: 5, 页码: 761-768
作者:
Liu Yingliang
;
Yang Fan
;
Wang Jianping
  |  
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2019/04/09
Ir Pump-probe
Vibrational Energy Relaxation Dynamics
Anisotropy Dynamics
Ethyl Acetoacetate