Pub Date : 2023-01-01DOI: 10.1063/1674-0068/cjcp2209136
{"title":"Molecular Potential Energy Computation via Graph Edge Aggregate Attention Neural Network","authors":"","doi":"10.1063/1674-0068/cjcp2209136","DOIUrl":"https://doi.org/10.1063/1674-0068/cjcp2209136","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":"58530443","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}
Pub Date : 2023-01-01DOI: 10.1063/1674-0068/cjcp2211163
{"title":"Adaptability of Electron-Localization Strategy for Achieving Planar Tetracoordination: Nitrogen versus Carbon","authors":"","doi":"10.1063/1674-0068/cjcp2211163","DOIUrl":"https://doi.org/10.1063/1674-0068/cjcp2211163","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":"58531155","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}
Pub Date : 2023-01-01DOI: 10.1063/1674-0068/cjcp2212181
{"title":"Ultrafast Proton Coupled Electron Transfer between Tryptophan and Tyrosine in Peptides Trp-Pron-Tyr","authors":"","doi":"10.1063/1674-0068/cjcp2212181","DOIUrl":"https://doi.org/10.1063/1674-0068/cjcp2212181","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":"58531401","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}
Pub Date : 2023-01-01DOI: 10.1063/1674-0068/cjcp2302012
{"title":"Imaging Ultraviolet Light-Induced Oxygen Vacancy Diffusion on TiO2(110) Surface","authors":"","doi":"10.1063/1674-0068/cjcp2302012","DOIUrl":"https://doi.org/10.1063/1674-0068/cjcp2302012","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":"58532083","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}
Pub Date : 2023-01-01DOI: 10.1063/1674-0068/cjcp2304040
{"title":"Neural Network Method for Constructing Intermolecular Potential Energy Surfaces of van der Waals Complexes","authors":"","doi":"10.1063/1674-0068/cjcp2304040","DOIUrl":"https://doi.org/10.1063/1674-0068/cjcp2304040","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":"135318950","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}
Pub Date : 2023-01-01DOI: 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}
Pub Date : 2023-01-01DOI: 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}
Pub Date : 2023-01-01DOI: 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}
Pub Date : 2023-01-01DOI: 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}
Pub Date : 2023-01-01DOI: 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}
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