期刊的影响因子--文章列表

期刊文章列表
Huabing Yin，Yaru Liu，Yuchen Ma（School of Chemistry and Chemical Engineering Shandong University；Institute for Computational Materials Science International Joint Research Laboratory of New Energy Materials and Devices of Henan Province School of Physics and Electronics Henan University；Accepted on November14 2021）.Brightening of Dark Excitons in Single-Walled Carbon Nanotubes:Investigation by Many-Body Green’s Function Theory^†[J].化学物理学报(英文版),2021,第6期 Jianwei Cao，Yanan Wu，Wensheng Bian（Beijing National Laboratory for Molecular Sciences Institute of Chemistry Chinese Academy of Sciences；School of Chemical Sciences University of Chinese Academy of Sciences；Accepted on November8 2021）.Ring Polymer Molecular Dynamics of the C(¹D)+H₂ Reaction on the Most Recent Potential Energy Surfaces^†[J].化学物理学报(英文版),2021,第6期 Feng-qin Long，Tan Jin，Ke-li Han，Wei Zhuang（State Key Laboratory of Molecular Reaction DynamicsDalian Institute of Chemical PhysicsChinese Academy of Sciences Dalian 116023 China；State Key Laboratory of Structural Chemistry Fujian Institute of Research on the Structure of Matter Chinese Academy of Sciences；University of Chinese Academy of Sciences；Accepted on September2 2021）.Impact of Borate on Structure of Antifreeze Glycoproteins^†[J].化学物理学报(英文版),2021,第6期 Xiao-Long Zhang，Hui Li（The Laboratory of Theoretical and Computational Chemistry School of Chemistry and Chemical Engineering Yantai University；Institute of Theoretical Chemistry College of Chemistry Jilin University；Accepted on December7 2021）.Three-Dimensional Ab Initio Potential Energy Surface and Predicted Spectra for the CH₄-Ne Complex^†[J].化学物理学报(英文版),2021,第6期 Jiahui Chen，Weihua Geng，Guo-Wei Wei（Department of Mathematics Michigan State University MI 48824 USA；Department of Mathematics Southern Methodist University Dallas TX 75275 USA；Department of Biochemistry and Molecular Biology Michigan State University MI 48824 USA；Accepted on September24 2021）.MLIMC: Machine Learning-Based Implicit-Solvent Monte Carlo^†[J].化学物理学报(英文版),2021,第6期陈文恺¹，孙鑫伟¹，方遒¹，刘向洋²，崔刚龙¹（北京师范大学化学学院理论与计算光化学教育部重点实验室；四川师范大学化学与材料科学学院）.GW/BSE级别下的非绝热动力学模拟揭示桥连化学键对调控酞菁锌-富勒烯给体-受体复合物激发态弛豫过程的重要作用[J].化学物理学报(英文版),2021,第6期 Yin Huabing，Liu Yaru，Ma Yuchen.Brightening of Dark Excitons in Single-Walled Carbon Nanotubes:Investigation by Many-Body Green's Function Theoryy[J].化学物理学报,2021,第6期 Chaofan Li，Siting Hou，Changjian Xie（Institute of Modern Physics Northwest University；Shaanxi Key Laboratory for Theoretical Physics Frontiers；Accepted on November8 2021）.Three-Dimensional Diabatic Potential Energy Surfaces of Thiophenol with Neural Networks^†[J].化学物理学报(英文版),2021,第6期 Wei Yan，Yong-fa Zhu，Wei-yu Xie，Hong-wei Song，Chao-yang Zhang，Ming-hui Yang（State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics Wuhan Institute of Physics and Mathematics Innovation Academy for Precision Measurement Science and Technology Chinese Academy of Sciences；University of Chinese Academy of Sciences；Institute of Chemical Materials China Academy of Engineering Physics；Wuhan National Laboratory for Optoelectronics Huazhong University of Science and Technology；Accepted on October24 2021）.A New Many-Body Expansion Scheme for Atomic Clusters: Application to Nitrogen Clusters^†[J].化学物理学报(英文版),2021,第6期 Peter M. Felker，ZlatkoBaˇci´c（Department of Chemistry and Biochemistry University of California Los Angeles CA 90095-1569USA；Department of Chemistry New York University New York 10003 USA；NYU-ECNU Center for Computational Chemistry at NYU Shanghai；Accepted on October31 2021）.Intra- and Intermolecular Rovibrational States of HCl-H₂O and DCl-H₂O Dimers from Full-Dimensional and Fully Coupled Quantum Calculations^†[J].化学物理学报(英文版),2021,第6期 Zhaoxi Sun，Payam Kalhor，Yang Xu，Jian Liu（Beijing National Laboratory for Molecular Sciences, College of Chemistry and Molecular Engineering,Institute of Theoretical and Computational Chemistry, Peking University；Accepted on December10）.Extensive Numerical Tests of Leapfrog Integrator in Middle Thermostat Scheme in Molecular Simulations^†[J].化学物理学报(英文版),2021,第6期刘云昊，王可，马海波（南京大学化学化工学院江苏省机动车尾气污染控制重点实验室）.利用重正化激子方法计算离域离子态或激发态的一阶分子性质[J].化学物理学报(英文版),2021,第6期张超江^1,2，闫帅廷^1,2，许洪光^1,2，徐西玲^1,2，郑卫军^1,2（中国科学院化学研究所北京分子科学国家研究中心分子反应动力学实验室；中国科学院大学）.Al_nC₄^-/0（n=2～4）团簇的结构和成键性质：光电子能谱和理论计算[J].化学物理学报(英文版),2021,第6期 Jun-fan Xia，Yao-long Zhang，Bin Jiang（Hefei National Laboratory for Physical Science at the Microscale, Department of Chemical Physics,Key Laboratory of Surface and Interface Chemistry and Energy Catalysis of Anhui Higher Education Institutes, University of Science and Technology of China；Accepted on October15）.Efficient Selection of Linearly Independent Atomic Features for Accurate Machine Learning Potentials^†[J].化学物理学报(英文版),2021,第6期 Shuwei Jin，Jia-Ning Wang，Yuanfei Xue，Pengfei Li，Ye Mei（State Key Laboratory of Precision Spectroscopy School of Physics and Electronic Science East China Normal University ；NYU-ECNU Center for Computational Chemistry at NYU Shanghai；Collaborative Innovation Center of Extreme Optics Shanxi University；Silicon Therapeutics (Suzhou) Co Ltd；Accepted on November14 2021）.Selectivity of Parvalbumin B Protein Binding to Ca²⁺ and Mg²⁺ at an Ab Initio QM/MM Level Using the Reference-Potential Method^†[J].化学物理学报(英文版),2021,第6期 Fenfei Wei，Egidius W. F. Smeets，Johannes Voss，Geert-Jan Kroes，Sen Lin，Hua Guo（State Key Laboratory of Photocatalysis on Energy and Environment College of Chemistry Fuzhou University；Leiden University Leiden Institute of Chemistry Einsteinweg 55 2333 CC Leiden The Netherlands c SUNCAT Center for Interface Science and Catalysis SLAC National Accelerator Laboratory 2575 Sand Hill Road Menlo Park CA 94025 USA；Department of Chemistry and Chemical Biology University of New Mexico Albuquerque New Mexico 87131 USA；Accepted on November8 2021）.Assessing Density Functionals for Describing Methane Dissociative Chemisorption on Pt(110)-(2×1) Surface^†[J].化学物理学报(英文版),2021,第6期 Peijun Xu，Xiaohong Mou，Qiuhan Guo，Ting Fu，Hong Ren，Guiyan Wang，Yan Li，Guohui Li（Liaoning Normal University；Pharmacy Department of Affiliated Zhongshan Hospital of Dalian University；Department of Ophthalmology Aerospace Center Hospital；Dalian Ocean University；Dalian Institute of Chemical Physics State Key Laboratory of Molecular Reaction Dynamics Daliane Dalian Institute of Chemical Physics State Key Laboratory of Molecular Reaction Dynamics；Accepted on December13 2021）.Coarse-Grained Molecular Dynamics Study based on TorchMD^†[J].化学物理学报(英文版),2021,第6期 Qin Jie，Li Jia，Li Jun.Quasi-Classical Trajectory Investigation of H+SO_2OH+SO Reaction on Full-Dimensional Accurate Potential Energy Surfacey[J].化学物理学报,2021,第6期 Yan Wei，Zhu Yongfa，Xie Weiyu，Song Hongwei，Zhang Chaoyang，Yang Minghui.A New Many-Body Expansion Scheme for Atomic Clusters:Application to Nitrogen Clustersy[J].化学物理学报,2021,第6期 Wei Fenfei，Smeets Egidius W F，Voss Johannes，Kroes Geertjan，Lin Sen，Guo Hua.Assessing Density Functionals for Describing Methane Dissociative Chemisorption on Pt(110)-(2*1) Surface[J].化学物理学报,2021,第6期 Liang Gao，Yuxiang Bu（School of Chemistry and Chemical Engineering, Shandong University；Accepted on October31）.Molecular Dynamics Insights into Electron-Catalyzed Dissociation Repair of Cyclobutane Pyrimidine Dimer^†[J].化学物理学报(英文版),2021,第6期 Liping Chen，Linjun Wang（Hangzhou Institute of Advanced Studies Zhejiang Normal University；Key Laboratory of Excited-State Materials of Zhejiang Province Zhejiang University；Key Laboratory of Excited-State Materials of Zhejiang Province Department of Chemistry Zhejiang University；Accepted on November12 2021）.Unbiased Fuzzy Global Optimization of Morse Clusters with Short-Range Potential for N≤400^†[J].化学物理学报(英文版),2021,第6期 Guo-dong Wang，Zhi-xing Liu，Bei-bei Qiu，Zhi-guo Zhang，Rui Wang，Xiao-yong Wang，Jing Ma，Yong-fang Li，Min Xiao，Chun-feng Zhang（National Laboratory of Solid State Microstructures School of Physics and Collaborative Innovationa National Laboratory of Solid State Microstructures School of Physics and Collaborative Innovation；Center for Advanced Microstructures Nanjing University ；Beijing National Laboratory for Molecular Sciences CAS Key Laboratory of Organic Solids Instituteb Beijing National Laboratory for Molecular Sciences CAS Key Laboratory of Organic Solids Institute；of Chemistry Chinese Academy of Sciences；State key Laboratory of Chemical Resource Engineering College of Materials Science and Engineeringc State key Laboratory of Chemical Resource EngineeringCollege of Materials Science and Engineering；Beijing University of Chemical Technology Beijing 100029 China；Institute of Theoretical and Computational Chemistry Key Laboratory of Mesoscopic Chemistry of Ministry of Education School of Chemistry and Chemical Engineering Nanjing University；Department of Physics University of Arkansas Fayetteville Arkansas 72701 USA；Accepted on October12 2021）.Ultrafast Electron Transfer in All-Small-Molecule Photovoltaic Blends Promoted by Intermolecular Interactions in Cyanided Donors^†[J].化学物理学报(英文版),2021,第6期 Wen-kai Chen，Xin-wei Sun，Qiu Fang，Xiang-yang Liu，Gang-long Cui（Key Laboratory of Theoretical and Computational Photochemistry Ministry of Education College of Chemistry Beijing Normal University ；College of Chemistry and Material Science Sichuan Normal University；Accepted on October4 2021）.GW/BSE Nonadiabatic Dynamics Simulations on Excited-State Relaxation Processes of Zinc Phthalocyanine-Fullerene Dyads: Roles of Bridging Chemical Bonds^†[J].化学物理学报(英文版),2021,第6期严威^1,2，朱永发^1,2，谢炜宇³，宋宏伟¹，张朝阳³，杨明晖^1,4（中国科学院武汉物理与数学研究所波谱与原子分子物理国家重点实验室精密测量科学与技术创新研究院；中国科学院大学；中国工程物理研究院化工材料研究所；华中科技大学武汉光电国家实验室）.一种适用于原子团簇的多体展开新方案：以氮团簇为例[J].化学物理学报(英文版),2021,第6期 Mingsong Shi，Xin Zhou，Yao Cai，Penghui Li，Dengxue Qin，Xinrong Yan，Meng Du，Shuo Li，Dingguo Xu（State Key Laboratory of Biotherapy West China Hospital of Sichuan University Chengdu 610041China；College of Chemistry Sichuan University；Research Center for Material Genome Engineering Sichuan University；Accepted on November10 2021）.Inhibition Mechanism of Hydroxyproline-like Small Inhibitors to Disorder HIF-VHL Interaction by Molecular Dynamic Simulations and Binding Free Energy Calculations^†[J].化学物理学报(英文版),2021,第6期 Jie Qin，Jia Li，JunLi（School of Chemistry and Chemical Engineering & Chongqing Key Laboratory of Theoretical and Computational Chemistry, Chongqing University；Acceptedon August14）.Quasi-Classical Trajectory Investigation of H+SO₂→OH+SO Reaction on Full-Dimensional Accurate Potential Energy Surface^†[J].化学物理学报(英文版),2021,第6期 Chao-jiang Zhang，Shuai-ting Yan，Hong-guang Xu，Xi-ling Xu，Wei-jun Zheng（Beijing National Laboratory for Molecular Sciences (BNLMS) State Key Laboratory of Molecular Reaction Dynamics Institute of Chemistry Chinese Academy of Sciences；University of Chinese Academy of Sciences；Accepted on October31 2021）.Structural and Bonding Properties of Al_nC₄^-/⁰ (n=2-4) Clusters: Anion Photoelectron Spectroscopy and Theoretical Calculations^†[J].化学物理学报(英文版),2021,第6期商辰尧^1,2，陈俊^3,4，徐昕¹，刘舒¹，张东辉¹（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；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）.H+Br₂→HBr+Br反应的态-态量子动力学研究[J].化学物理学报(英文版),2021,第6期 Hong-de Liu，Nai-gui Liu，Dun-you Wang，Jun-feng Ren（College of Physics and Electronics, Shandong Normal University；Accepted on October31）.Ab initio Molecular Dynamics Study of Adsorption of Hydroxyl Groups on Graphene Surface^†[J].化学物理学报(英文版),2021,第6期首页上一页 1 2 3 4 5 下一页尾页共有8页，转到页

期刊文章列表