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Chinese Journal of Chemical Physics最新文献

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Molecular Potential Energy Computation via Graph Edge Aggregate Attention Neural Network 基于图边聚集注意神经网络的分子势能计算
IF 1 4区 化学
Chinese Journal of Chemical Physics Pub Date : 2023-01-01 DOI: 10.1063/1674-0068/cjcp2209136
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引用次数: 0
Adaptability of Electron-Localization Strategy for Achieving Planar Tetracoordination: Nitrogen versus Carbon 实现平面四配位的电子局部化策略的适应性:氮与碳
IF 1 4区 化学
Chinese Journal of Chemical Physics Pub Date : 2023-01-01 DOI: 10.1063/1674-0068/cjcp2211163
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引用次数: 0
Ultrafast Proton Coupled Electron Transfer between Tryptophan and Tyrosine in Peptides Trp-Pron-Tyr 色氨酸-酪氨酸-酪氨酸肽中色氨酸和酪氨酸之间的超快质子耦合电子转移
IF 1 4区 化学
Chinese Journal of Chemical Physics Pub Date : 2023-01-01 DOI: 10.1063/1674-0068/cjcp2212181
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引用次数: 0
Imaging Ultraviolet Light-Induced Oxygen Vacancy Diffusion on TiO2(110) Surface TiO2(110)表面紫外光诱导氧空位扩散的成像研究
IF 1 4区 化学
Chinese Journal of Chemical Physics Pub Date : 2023-01-01 DOI: 10.1063/1674-0068/cjcp2302012
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引用次数: 0
Neural Network Method for Constructing Intermolecular Potential Energy Surfaces of van der Waals Complexes 构建范德华配合物分子间势能面的神经网络方法
4区 化学
Chinese Journal of Chemical Physics Pub Date : 2023-01-01 DOI: 10.1063/1674-0068/cjcp2304040
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引用次数: 0
Fine-Structure Branching Ratios N(2D5/2)/N(2D3/2) above Threshold N(2D5/2,3/2)+N(2D5/2,3/2) for 14N2 and 15N2 对于14N2和15N2，精细结构分支比N(2D5/2)/N(2D3/2)高于阈值N(2d5 /2,3/2)+N(2d5 /2,3/2)
4区 化学
Chinese Journal of Chemical Physics Pub Date : 2023-01-01 DOI: 10.1063/1674-0068/cjcp2308075
{"title":"Fine-Structure Branching Ratios N(<sup>2</sup>D<sub>5/2</sub>)/N(<sup>2</sup>D<sub>3/2</sub>) above Threshold N(<sup>2</sup>D<sub>5/2,3/2</sub>)+N(<sup>2</sup>D<sub>5/2,3/2</sub>) for <sup>14</sup>N<sub>2</sub> and <sup>15</sup>N<sub>2</sub>","authors":"","doi":"10.1063/1674-0068/cjcp2308075","DOIUrl":"https://doi.org/10.1063/1674-0068/cjcp2308075","url":null,"abstract":"","PeriodicalId":10036,"journal":{"name":"Chinese Journal of Chemical Physics","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135318975","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
DFT Studies of CO Reaction Behaviors on α-Fe2O3(001) Oxygen-Vacancy Surface in Chemical Looping Reforming 化学环化重整中α-Fe2O3(001)氧空位表面CO反应行为的DFT研究
4区 化学
Chinese Journal of Chemical Physics Pub Date : 2023-01-01 DOI: 10.1063/1674-0068/cjcp2304028
{"title":"DFT Studies of CO Reaction Behaviors on α-Fe<sub>2</sub>O<sub>3</sub>(001) Oxygen-Vacancy Surface in Chemical Looping Reforming","authors":"","doi":"10.1063/1674-0068/cjcp2304028","DOIUrl":"https://doi.org/10.1063/1674-0068/cjcp2304028","url":null,"abstract":"","PeriodicalId":10036,"journal":{"name":"Chinese Journal of Chemical Physics","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135319661","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
First-Principles Study of Blue Phosphorene and Graphene Intralayer Heterostructure as Anode Materials for Rechargeable Li-Ion Batteries 蓝色磷烯和石墨烯层内异质结构作为可充电锂离子电池负极材料的第一性原理研究
4区 化学
Chinese Journal of Chemical Physics Pub Date : 2023-01-01 DOI: 10.1063/1674-0068/cjcp2304035
{"title":"First-Principles Study of Blue Phosphorene and Graphene Intralayer Heterostructure as Anode Materials for Rechargeable Li-Ion Batteries","authors":"","doi":"10.1063/1674-0068/cjcp2304035","DOIUrl":"https://doi.org/10.1063/1674-0068/cjcp2304035","url":null,"abstract":"","PeriodicalId":10036,"journal":{"name":"Chinese Journal of Chemical Physics","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135318649","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Dissociative Photoionization of m-Xylene 间二甲苯的解离光电离
IF 1 4区 化学
Chinese Journal of Chemical Physics Pub Date : 2023-01-01 DOI: 10.1063/1674-0068/cjcp2202027
{"title":"Dissociative Photoionization of m-Xylene","authors":"","doi":"10.1063/1674-0068/cjcp2202027","DOIUrl":"https://doi.org/10.1063/1674-0068/cjcp2202027","url":null,"abstract":"","PeriodicalId":10036,"journal":{"name":"Chinese Journal of Chemical Physics","volume":null,"pages":null},"PeriodicalIF":1.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"58528428","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Effects of Fluorescent Pair on the Kinetics of DNA Strand Displacement Reaction 荧光对DNA链位移反应动力学的影响
IF 1 4区 化学
Chinese Journal of Chemical Physics Pub Date : 2023-01-01 DOI: 10.1063/1674-0068/cjcp2302015
{"title":"Effects of Fluorescent Pair on the Kinetics of DNA Strand Displacement Reaction","authors":"","doi":"10.1063/1674-0068/cjcp2302015","DOIUrl":"https://doi.org/10.1063/1674-0068/cjcp2302015","url":null,"abstract":"","PeriodicalId":10036,"journal":{"name":"Chinese Journal of Chemical Physics","volume":null,"pages":null},"PeriodicalIF":1.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"58532104","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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