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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) \| 收藏 \| 浏览/下载：44/1 \| 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) \| 收藏 \| 浏览/下载：71/2 \| 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 CO₂ reduction on TiO₂-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) \| 收藏 \| 浏览/下载：61/2 \| 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) \| 收藏 \| 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) \| 收藏 \| 浏览/下载：259/1 \| 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 MAPbBr₃ 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) \| 收藏 \| 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) \| 收藏 \| 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 In₂O₃ catalysts in CO₂ 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) \| 收藏 \| 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) \| 收藏 \| 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) \| 收藏 \| 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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