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Ultrafast fragmentation dynamics of carbon dioxide trication induced by an intense laser field: Transient deformation route vs direct Coulomb repulsion
期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2025, 卷号: 162, 期号: 11
作者:
Xu, Weiqing
;
Dong, Ruichao
;
Wang, Xincheng
;
Chen, Ahai
;
Jiang, Yuhai
Adobe PDF(7829Kb)
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浏览/下载:44/1
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提交时间:2025/04/07
Carbon dioxide lasers
Coulomb blockade
Coulomb interactions
Ab initio molecular dynamics simulation
Coulomb repulsions
Deformation routes
Fragmentation dynamics
Fragmentation process
Intense laser field
Multi-coincidence
Theoretical study
Transient deformation
Ultra-fast
Atomic insights into the ion-conducting channels of poly(arylene piperidinium) anion exchange membranes
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2025, 卷号: 27, 期号: 9, 页码: 4634-4642
作者:
Pu, Weiwen
;
Sun, Zhaoru
Adobe PDF(1819Kb)
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浏览/下载:71/2
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提交时间:2025/02/24
Conducting polymers
Electrolytic reduction
Ion exchange membranes
Nafion membranes
Water content
Anion exchange
Conducting channels
Energy devices
Enhanced conductivity
Exchange membranes
Green energy
Ion-conducting
Piperidinium
Poly(arylene)
Polyarylenes
Insight into photocatalytic CO
2
reduction on TiO
2
-supported Cu nanorods: a DFT study on the reaction mechanism and selectivity
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2025, 卷号: 27, 期号: 5, 页码: 2536-2544
作者:
Liu, Ying
;
Zhang, Jinyang
;
Jin, Jiamin
;
Liu, Huihui
;
Ren, Guanhua
Adobe PDF(2118Kb)
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浏览/下载:61/2
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提交时间:2025/02/12
Identification of novel tau positron emission tomography tracers for chronic traumatic encephalopathy by comprehensive in silico screening and molecular dynamics simulation
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2025, 卷号: 27, 期号: 2, 页码: 754-767
作者:
Qi, Bote
;
Guan, Lulu
;
Tan, Jingwang
;
Li, Gengchen
;
Sun, Yunxiang
Adobe PDF(3086Kb)
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浏览/下载:105/1
|
提交时间:2024/12/27
Binding energy
Computerized tomography
Germanium compounds
Neurodegenerative diseases
Neurophysiology
Photons
Positron emission tomography
Positrons
Binding affinities
Dynamics simulation
Emission tomography
Hydrogen bonding interactions
Hydrophobics
In-silico screening
Mild traumatic brain injuries
Neurodegenerative
Positron emission
Protofibrils
Time-resolved photoelectron diffraction imaging of methanol photodissociation involving molecular hydrogen ejection
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2024, 卷号: 26, 期号: 38, 页码: 25118-25130
作者:
Yoshikawa, Kazuki
;
Kanno, Manabu
Adobe PDF(2792Kb)
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浏览/下载:259/1
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提交时间:2024/09/30
Angular distribution
Photodissociation
Photoelectrons
Time-resolved spectroscopy
Atomic hydrogen
Diffraction imaging
Hydrogen atoms
Hydrogen molecule
Hydrogen motion
Molecular hydrogen
Neutral hydrogen
Photoelectron diffraction
Time-resolved
Ultra-fast
Unravelling the mechanism of temperature modulated exciton binding energy for MAPbBr
3
perovskites
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2024, 卷号: 26, 期号: 35, 页码: 22982-22989
作者:
Hu, Yanzhuo
;
Liu, Dong
;
Lu, Ying-Bo
;
Wang, Hao
;
Wu, Zhongchen
Adobe PDF(1489Kb)
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浏览/下载:234/2
|
提交时间:2024/09/02
Absorption spectra
Blue shift
Critical temperature
Dielectric properties of solids
Excitons
Layered semiconductors
Optical band gaps
Optical depth
Red Shift
Absorption peaks
Blue shift
Exciton-binding energy
Excitonic effect
Halide perovskites
Optical-
Optoelectronic characteristics
Property
Strong absorptions
Tetragonal phase
A comprehensive study on three typical photoacid generators using photoelectron spectroscopy and ab initio calculations
期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2024, 卷号: 161, 期号: 5
作者:
Jiang, Yanrong
;
Cao, Wenjin
;
Hu, Zhubin
;
Yue, Zhongyao
;
Bai, Chunyuan
Adobe PDF(5605Kb)
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浏览/下载:403/4
|
提交时间:2024/08/23
Continuum mechanics
Excited states
Photoelectron spectroscopy
Photolysis
Photoresists
Solvents
193 nm photoresists
Ab initio calculations
Molecular levels
P-toluenesulfonates
Performance
Photoacid generators
Rational design
Reaction energy
Red shift
Triflates
Reactivity of surface oxygen vacancy sites and frustrated Lewis acid-base pairs of In
2
O
3
catalysts in CO
2
hydrogenation
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2024, 卷号: 26, 期号: 23, 页码: 16449-16453
作者:
Wei, Zhangqian
;
Li, Shenggang
;
Gao, Peng
Adobe PDF(1368Kb)
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浏览/下载:260/0
|
提交时间:2024/06/11
Carbon dioxide
Catalyst activity
Density functional theory
Hydrogenation
Oxygen
Oxygen vacancies
Base pairs
CO formation
Density-functional theory calculations
Effect of oxygen
Formation energies
Hydrogenation activity
Lewis acid-base
Surface oxygen vacancies
Vacancy sites
]+ catalyst
Investigation of ultrafast intermediate states during singlet fission in lycopene H-aggregate using femtosecond stimulated Raman spectroscopy
期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2024, 卷号: 160, 期号: 19
作者:
Peng, Bo
;
Wang, Ziyu
;
Jiang, Jiaming
;
Huang, Yifan
;
Liu, Weimin
Adobe PDF(7629Kb)
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浏览/下载:429/64
|
提交时间:2024/06/03
Aggregates
Charge transfer
Chromophores
Energy utilization
Excited states
Femtosecond stimulated raman spectroscopies
Fission process
H-aggregates
Lycopenes
Reaction pathways
S state
Singlet excited state
Singlet fissions
Triplet state
Ultra-fast
Exploring the ultrafast and isomer-dependent photodissociation of iodothiophenes via site-selective ionization
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2024, 卷号: 26, 期号: 16, 页码: 12725-12737
作者:
Razmus, Weronika O.
;
Allum, Felix
;
Harries, James
;
Kumagai, Yoshiaki
;
Nagaya, Kiyonobu
Adobe PDF(2055Kb)
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浏览/下载:357/60
|
提交时间:2024/05/11
Atoms
Binary alloys
Charge transfer
Computerized tomography
Ground state
Iodine
Ionization
Kinetic energy
Kinetics
Molecules
Momentum
Photodissociation
Photolysis
Plants (botany)
Bond extension
Bond fissions
Dissociation process
Iodine atoms
Localised
Photo-excitations
Selective ionization
Site selective
Time-resolved
Ultra-fast
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