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In-depth investigation on THz spectrum of 1-butyl-3-methylimidazolium dicyanamide spreading on graphene surface by computational calculation
会议论文
作者:
Guan, Yongji
;
Zhang, Jiao
;
Wang, Jinyuan
;
Yang, Fulong
;
Jing, Huanwang
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2020/12/18
Blue shift
Hydrogen bonds
Ionic liquids
Negative ions
Positive ionsAdsorbed layers
Cation-anions
Computational calculations
Dicyanamide
Dynamic changes
Out-of plane
THz spectrum
Vibrational bands
In-depth investigation on THz spectrum of 1-butyl-3-methylimidazolium dicyanamide spreading on graphene surface by computational calculation
期刊论文
Journal of Molecular Liquids, 2020, 卷号: 311
作者:
Guan, Yongji
;
Zhang, Jiao
;
Wang, Jinyuan
;
Yang, Fulong
;
Jing, Huanwang
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2020/11/14
Blue shift
Hydrogen bonds
Ionic liquids
Negative ions
Positive ions
Adsorbed layers
Cation-anions
Computational calculations
Dicyanamide
Dynamic changes
Out-of plane
THz spectrum
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:16/0
  |  
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
Infrared spectra of neutral dimethylamine clusters: An infrared-vacuum ultraviolet spectroscopic and anharmonic vibrational calculation study
期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2019, 卷号: 150, 页码: 064317
作者:
Zhang, Bingbing
;
Huang, Qian-Rui
;
Jiang, Shukang
;
Chen, Li-Wei
;
Hsu, Po-Jen
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2019/12/02
Red Shift
Resonance
Ultraviolet spectroscopy, Anharmonic vibrational calculations
Energy conformers
Experimental spectra
Fundamental modes
Infrared spectrum
Stretching modes
Vacuum ultraviolets
Vibrational couplings, Calculations
Influence of External Electric Field on Vibrational Spectrum of Imidazolium-Based Ionic Liquids Probed by Molecular Dynamics Simulation
期刊论文
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)
收藏
  |  
浏览/下载:41/0
  |  
提交时间:2018/12/29
Vibrational Spectrum
External Electric Field
Ionic Liquid
Molecular Dynamics Simulation
Exotic Spectra and Lattice Vibrations of Ice X Using the DFT Method
期刊论文
MOLECULES, 2018, 卷号: 23, 期号: 11
作者:
Jiang, Lu
;
Yao, Shu-Kai
;
Zhang, Kai
;
Wang, Ze-Ren
;
Luo, Hui-Wen
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/12/11
ice X
vibrational spectrum
first-principles DFT
Raman scattering
IR
absorption
DFT Simulations of the Vibrational Spectrum and Hydrogen Bonds of Ice XIV
期刊论文
MOLECULES, 2018, 卷号: 23, 期号: 7
作者:
Zhang, Kai
;
Zhang, Peng
;
Wang, Ze-Ren
;
Zhu, Xu-Liang
;
Lu, Ying-Bo
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/12/11
ice XIV
vibrational spectrum
hydrogen bond
CASTEP
first-principles
DFT
Chirality recognition in concerted proton transfer process for prismatic water clusters
期刊论文
NANO RESEARCH, 2016
Wang, Bo
;
Jiang, Wanrun
;
Gao, Yang
;
Teo, Boon K.
;
Wang, Zhigang
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2017/12/03
water cluster
chirality
proton transfer
circular dichroism spectrum
density functional theory calculation
METAL-ORGANIC FRAMEWORKS
VIBRATIONAL CIRCULAR-DICHROISM
DENSITY FUNCTIONALS
CYCLIC WATER
AB-INITIO
ELECTRON-DENSITY
BINDING-ENERGIES
HYDROGEN-BONDS
IONIZED WATER
(H2O)(N)
Dynamics of Excited o-Dichlorobenzene
期刊论文
acta physico-chimica sinica, 2015, 卷号: 31, 期号: 9, 页码: 1655-1661
作者:
Li Xiao-Ying
;
Wang Li
;
Wang Yan-Qiu
;
Song Zhe
;
Liu Ben-Kang
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2015/11/17
o-Dichlorobenzene
Vibrational excitation
Photoelectron imaging
Photoelectron kinetic
energy spectrum
Dynamics of Excited o-Dichlorobenzene
期刊论文
Acta Physico-Chimica Sinica, 2015, 卷号: Vol.31 No.9, 页码: 1655-1661
作者:
LI, Xiao-Ying
;
WANG, Li
;
WANG, Yan-Qiu
;
SONG, Zhe
;
LIU, Ben-Kang
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2019/02/27
Photoelectron
imaging
Photoelectron
kinetic
energy
spectrum
Vibrational
excitation
o-Dichlorobenzene
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