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臧翔宇1,2,3,张兆燕2,3,王冲2,3,王天通2,3,郑会俊2,3,谢华2,杨家岳2,戴东旭2,吴国荣2,张未卿2,李刚2,杨学明1,2,3,4,江凌2(大连理工大学张大煜化学学院;中国科学院大连化学物理研究所分子反应动力学国家重点实验室;中国科学院大学;南方科技大学理学院化学系).阿尔法蒎烯臭氧分解反应的极紫外自山电子激光光电离质谱研究[J].Chinese Journal of Chemical Physics,2022,第2期
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Guiyan Wang,Ting Fu,Hong Ren,Peijun Xu,Qiuhan Guo,Xiaohong Mou,Yan Li,Guohui Li(School of Information Engineering, Dalian Ocean University;b. Pharmacy Department of Affiliated Zhongshan Hospital of Dalian University;Department of Ophthalmology Aerospace Center Hospital;Liaoning Normal University;State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics).K-means Find Density Peaks in Molecular Conformation Clustering†[J].化学物理学报(英文版),2022,第2期
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白玉瑶1,2,付艳林1,韩永昌2,傅碧娜1,张东辉1(中国科学院大连化学物理研究所;大连理工大学物理学院).剂极性,激发态分子内双质子转移,羟基蒽醌类化合物基于基本不变量神经网络势能面的H+C_2D_2反应漫游机理研究[J].化学物理学报,2022,第2期
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连曼,汪宇晨,彭师平,赵仪(厦门大学化学化工学院固体表面物理化学国家重点实验室福建省理论与计算化学重点实验室).锐钛矿和金红石二氧化钛中光生载流子的超快动力学:电声相互作用研究[J].Chinese Journal of Chemical Physics,2022,第2期
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王贵艳1,付婷2,3,任虹4,许佩军5,郭秋含5,牟晓红5,李焱3,李国辉3(大连海洋大学;大连大学附属中山医院;中国科学院大连化学物理研究所分子反应动力学国家重点实验室;航天中心医院眼科;辽宁师范大学).分子构象聚类中的K-means密度峰值搜索算法[J].Chinese Journal of Chemical Physics,2022,第2期
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焦志润1,2,王黑龙1,李煜1,2,张宏涛1,3,肖春雷1,3,杨学明1,4(中国科学院大连化学物理研究所分子反应动力学国家重点实验室;中国科学院大学化学学院;中国科学技术大学物理化学系;南方科技大学理学院).碰撞能44~164 cm-1范围内单量子态转动激发对F+D2反应的影响[J].Chinese Journal of Chemical Physics,2022,第2期
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Yuyao Bai,Yan-Lin Fu,Yong-Chang Han,Bina Fu,Dong H. Zhang(State Key Laboratory of Molecular Reaction Dynamics and Center for Theoretical and Computational Chemistry, Dalian Institute of Chemical Physics, Chinese Academy of Sciences;School of Physics, Dalian University of Technology).Roaming Dynamics of H+C2D2 Reaction on Fundamental-Invariant Neural Network Potential Energy Surface†[J].化学物理学报(英文版),2022,第2期
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Hong-yu Ma,Cheng-yuan Zhang,Yu-zhi Song,Feng-cai Ma,Yong-qing Li(Department of Physics, Liaoning University;Collaborative Innovation Center of Light Manipulations and Applications, Shandong Normal University).Time-Dependent Quantum Wave Packet Calculation for Reaction S-(2P)+H2(1Σ+g)→SH-(1Σ)+H(2S) on Ab Initio Potential Energy Surface†[J].化学物理学报(英文版),2022,第2期
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Zheng-Ran Wang,Li-Xia Zhu,Xing-Lei Zhang,Bo Li,Yu-Liang Liu,Yong-Feng Wan,Qi Li,Yu Wan,Hang Yin,Ying Shi(Institute of Atomic and Molecular Physics, Jilin University).Effect of Solvent Polarity on Excited-State Double Proton Transfer Process of 1,5-Dihydroxyanthraquinone†[J].化学物理学报(英文版),2022,第2期
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Hongling Zhang,Qingtong Liu,Yiying Wang,Zhe Tang,Panwang Zhou(Institute of Molecular Sciences and Engineering, Institute of Frontier and Interdisciplinary Science,Shandong University;State Key Laboratory of Molecular Reaction Dynamics,Dalian Institute of Chemical Physics,Chinese Academy of Sciences).Regulation of Excited-State Intramolecular Proton Transfer Process and Photophysical Properties for Benzoxazole Isothiocyanate Fluorescent Dyes by Changing Atomic Electronegativity†[J].化学物理学报(英文版),2022,第2期
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Mingxing Guo,Wenchao Liu,Junyan Huang,Jiaqi Liu,Shuhui Yin,Jing Leng(College of Environment Science and Engineering, Dalian Maritime University, Dalian 116026, China College of Science, Dalian Maritime University;The State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics,Chinese Academy of Sciences).Enhanced Crystal Quality of Perovskite via Protonated Graphitic Carbon Nitride Added in Carbon-Based Perovskite Solar Cells†[J].化学物理学报(英文版),2022,第2期
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Fang-fang Li,Yu-jie Ma,Jia-xing Liu,Dong Yan,Ang Xu,Feng-yan Wang(Department of Chemistry and Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials,Collaborative Innovation Center of Chemistry for Energy Materials(iChEM),Fudan University).Imaging Photodissociation Dynamics of MgO at 193 nm†[J].化学物理学报(英文版),2022,第2期
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Qixin Chen,Shanyu Han,Xixi Hu,Daiqian Xie(Institute of Theoretical and Computational Chemistry, Key Laboratory of Mesoscopic Chemistry,School of Chemistry and Chemical Engineering, Nanjing University;Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque;Kuang Yaming Honors School, Institute for Brain Sciences, Nanjing University).Full-Dimensional Potential Energy Surfaces of Ground (
2A') and Excited( 2A'') Electronic States of HCO and Absorption Spectrum†[J].Chinese Journal of Chemical Physics,2022,第2期
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Anran Zhou,Zhiqiang Fu,Xuanyu Cao,Yufen Zhao,Yong Wang(Institute of Drug Discovery Technology, Ningbo University;Key Laboratory of Industrial Ecology and Environmental Engineering(Ministry of Education),School of Environmental Science and Technology, Dalian University of Technology;Qian Xuesen Collaborative Research Center of Astrochemistry and Space Life Sciences, Ningbo University).A Mechanistic Switch in C-H Bond Activation by Elusive FeV(O)(TAML)Reaction Intermediate: A Theoretical Study†[J].化学物理学报(英文版),2022,第2期
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Ling Tang,Wentao Chen,Daofu Yuan,Shengrui Yu,Xueming Yang,Xingan Wang(Department of Chemical Physics, University of Science and Technology of China;Hangzhou Institute of Advanced Studies, Zhejiang Normal University;State key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences;School of Science, Southern University of Science and Technology).Vacuum Ultraviolet Photodissociation Dynamics of OCS via the F Rydberg State: the S(3PJ=2,1,0) Product Channels†[J].化学物理学报(英文版),2022,第2期
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马宏宇1,张成园1,宋玉志2,马凤才1,李永庆1(辽宁大学物理学院;山东师范大学光场调控与应用协同创新中心).基于从头算势能面对S-(~2P)+H2(~1∑g+)→SH-(~1∑)+H(~2S)反应的量子含时波包计算[J].Chinese Journal of Chemical Physics,2022,第2期
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Su-jun Ji,Zhi-ling Ding,Hang Yin,Dao-yuan Zheng,Jin-feng Zhao(Institute of Molecular Sciences and Engineering, Institute of Frontier and Interdisciplinary Science,Shandong University;State Key Laboratory of Molecular Reaction Dynamics,Dalian Institute of Chemical Physics,Chinese Academy of Sciences).Theoretical Study on Xe···N non-Covalent Interactions: Three Hybridization N with XeO3 and XeOF2†[J].化学物理学报(英文版),2022,第2期
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Man Lian,Yu-Chen Wang,Shiping Peng,Yi Zhao(State Key Laboratory of Physical Chemistry of Solid Surfaces, Fujian Provincial Key Lab of Theoretical and Computational Chemistry, and College of Chemistry and Chemical Engineering, Xiamen University).Photo-Induced Ultrafast Electron Dynamics in Anatase and Rutile TiO2:Effects of Electron-Phonon Interaction†[J].化学物理学报(英文版),2022,第2期
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Binli Wang,Abubakar Sadiq Abdullahi,Yahui Wang,Hong-Jun Fan(State Key Laboratory of Molecular Reaction Dynamics,Dalian Institute of Chemical Physics,Chinese Academy of Sciences;University of Chinese Academy of Sciences).Low-Lying Isomers of (TiO2)n (n=2-8) Clusters†[J].化学物理学报(英文版),2022,第2期
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张岩1,陈宣凝1,尹淑慧1,羊送球2(大连海事大学理学院;中国科学院大连化学物理研究所分子反应动力学国家重点实验室).尿嘧啶核苷酸阴离子液相中的过电子附着和电离[J].Chinese Journal of Chemical Physics,2022,第2期
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Yan Zhang,Xuan-ning Chen,Shu-hui Yin,Song-qiu Yang(School of Science, Dalian Maritime University;State Key Laboratory of Molecular Reaction Dynamics,Dalian Institute of Chemical Physics,Chinese Academy of Science).Excess-Electron Attachment and Ionization of Aqueous Uridine Monophosphate Anion†[J].化学物理学报(英文版),2022,第2期
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汲素君1,丁志玲1,尹航1,郑道元1,2,赵金峰1,2(山东大学前沿交叉科学青岛研究院分子科学与工程研究中心;中国科学院大连化学物理研究所分子反应动力学国家重点实验室).XeO3和XeOF2与三种不同杂化方式N原子的Xe…N非共价作用的理论研究[J].Chinese Journal of Chemical Physics,2022,第2期
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Kai Huang,Feng Zhang,Feng-Jiao Zhao,Hong-Ming Yin(School of Science, Dalian Maritime University).Excited State Trap in Erbium Doped Borate Glass†[J].化学物理学报(英文版),2022,第2期
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Yan-jun Min,Wen-peng Yuan,Dong-yuan Yang,Dong-xu Dai,Sheng-rui Yu,Guo-rong Wu,Xue-ming Yang(State Key Laboratory of Molecular Reaction Dynamics,Dalian Institute of Chemical Physics,Chinese Academy of Sciences;University of Chinese Academy of Sciences;Hangzhou Institute of Advanced Studies, Zhejiang Normal University).Ultrafast Decay Dynamics of 2-Hydroxypyridine Excited to S1 Electronic State†[J].化学物理学报(英文版),2022,第2期
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Hong Zhang,Stephen Jeffrey,John Carter(Science and Technology Division, Department of Environment and Science, Queensland Government,GPO Box 2454).Change Point Detection and Trend Analysis for Time Series†[J].化学物理学报(英文版),2022,第2期
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王彬力1,2,Abubakar Sadiq Abdullahia1,2,王雅慧1,樊红军1,2(中国科学院大连化学物理研究所分子反应动力学国家重点实验室;中国科学院大学).小型二氧化钛团簇(TiO2)n(n=2~8)的低能异构体研究[J].Chinese Journal of Chemical Physics,2022,第2期
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郭明星1,刘文超1,黄均妍1,刘佳琦1,尹淑慧2,冷静3(大连海事大学环境科学与工程学院;大连海事大学理学院;中国科学院大连化学物理研究所分子反应动力学国家重点实验室).掺杂质子化石墨相氮化碳增强碳基太阳能电池中钙钛矿的结晶质量[J].Chinese Journal of Chemical Physics,2022,第2期
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Zhirun Jiao,Heilong Wang,Yu Li,Hongtao Zhang,Chunlei Xiao,Xueming Yang(State Key Laboratory of Molecular Reaction Dynamics,Dalian Institute of Chemical Physics,Chinese Academy of Sciences;School of Chemical Sciences, University of Chinese Academy of Sciences;College of Science, Southern University of Science and Technology;Department of Chemical Physics, University of Science and Technology of China).Effects of Single Quantum Rotational Excitation on Reaction of F+D2 at Collision Energies between 44 and 164 cm-1†[J].化学物理学报(英文版),2022,第2期
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陈俊1,2,庄巍1,2(中国科学院福建物质结构研究所结构化学国家重点实验室;中国福建光电信息科学与技术创新实验室).从单分子到凝聚相水体系的理论描述:势能面和分子动力学最新进展[J].Chinese Journal of Chemical Physics,2022,第2期
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Jun Chen,Wei Zhuang(State Key Laboratory of Structural Chemistry,Fujian Institute of Research on the Structure of Matter,Chinese Academy of Sciences;Fujian Science&Technology Innovation Laboratory for Optoelectronic Information of China).Theoretical Description of Water from Single-Molecule to Condensed Phase: Recent Progress on Potential Energy Surfaces and Molecular Dynamics†[J].化学物理学报(英文版),2022,第2期
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