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Chinese Journal of Chemical Physics最新文献

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Effects of Hydrogen Bonds on Two-Photon Absorption of Green Fluorescent Protein Chromophore Analogue 氢键对绿色荧光蛋白发色团类似物双光子吸收的影响
IF 1 4区 化学
Chinese Journal of Chemical Physics Pub Date : 2023-01-01 DOI: 10.1063/1674-0068/cjcp2209139
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引用次数: 0
Ab Initio Molecular Dynamics Study of Dissociative Adsorption of H2 on Defective Graphene-supported Cu19 Cluster 氢在缺陷石墨烯载体Cu19簇上解离吸附的从头算分子动力学研究
IF 1 4区 化学
Chinese Journal of Chemical Physics Pub Date : 2023-01-01 DOI: 10.1063/1674-0068/cjcp2211168
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引用次数: 0
Effects of Ambient Air on Functional Stability of Single-Molecule Spin Logic Gate 环境空气对单分子自旋逻辑门功能稳定性的影响
IF 1 4区 化学
Chinese Journal of Chemical Physics Pub Date : 2023-01-01 DOI: 10.1063/1674-0068/cjcp2212176
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引用次数: 0
Anionic Clusters Produced in Low-Energy Electron Irradiation of Methanol Liquid 甲醇液体低能电子辐照产生的阴离子团簇
4区 化学
Chinese Journal of Chemical Physics Pub Date : 2023-01-01 DOI: 10.1063/1674-0068/cjcp2304037
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引用次数: 0
Λ-type Doublets and Lifetime Broadening in the B2Π–X2Π Electronic Origin Band of C6H C6H B2Π-X2Π电子源带的Λ-type双峰和寿命展宽
4区 化学
Chinese Journal of Chemical Physics Pub Date : 2023-01-01 DOI: 10.1063/1674-0068/cjcp2304030
{"title":"Λ-type Doublets and Lifetime Broadening in the B<sup>2</sup>Π–X<sup>2</sup>Π Electronic Origin Band of C<sub>6</sub>H","authors":"","doi":"10.1063/1674-0068/cjcp2304030","DOIUrl":"https://doi.org/10.1063/1674-0068/cjcp2304030","url":null,"abstract":"","PeriodicalId":10036,"journal":{"name":"Chinese Journal of Chemical Physics","volume":"42 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135318651","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
Light- and Thermal-Driven Gold-Catalyzed Reaction of o-Alkynylphenols with Aryldiazonium Salts: Computational Insights into Mechanistic Similarities and Differences 光和热驱动金催化邻炔基苯酚与芳基重氮盐的反应:机制相似性和差异的计算见解
4区 化学
Chinese Journal of Chemical Physics Pub Date : 2023-01-01 DOI: 10.1063/1674-0068/cjcp2304029
{"title":"Light- and Thermal-Driven Gold-Catalyzed Reaction of <i>o</i>-Alkynylphenols with Aryldiazonium Salts: Computational Insights into Mechanistic Similarities and Differences","authors":"","doi":"10.1063/1674-0068/cjcp2304029","DOIUrl":"https://doi.org/10.1063/1674-0068/cjcp2304029","url":null,"abstract":"","PeriodicalId":10036,"journal":{"name":"Chinese Journal of Chemical Physics","volume":"25 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135318663","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
Threshold Photoelectron Spectrum of CF2Cl2 in Photon Energy Range of 13.9‒15.1 eV 光子能量13.9 ~ 15.1 eV范围内CF2Cl2的阈值光电子能谱
4区 化学
Chinese Journal of Chemical Physics Pub Date : 2023-01-01 DOI: 10.1063/1674-0068/cjcp2308074
{"title":"Threshold Photoelectron Spectrum of CF<sub>2</sub>Cl<sub>2</sub> in Photon Energy Range of 13.9‒15.1 eV","authors":"","doi":"10.1063/1674-0068/cjcp2308074","DOIUrl":"https://doi.org/10.1063/1674-0068/cjcp2308074","url":null,"abstract":"","PeriodicalId":10036,"journal":{"name":"Chinese Journal of Chemical Physics","volume":"31 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135318974","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
Atomistic Modeling of Lithium Materials from Deep Learning Potential with Ab Initio Accuracy 基于从头算精度的深度学习锂材料原子模型
IF 1 4区 化学
Chinese Journal of Chemical Physics Pub Date : 2023-01-01 DOI: 10.1063/1674-0068/cjcp2211173
{"title":"Atomistic Modeling of Lithium Materials from Deep Learning Potential with Ab Initio Accuracy","authors":"","doi":"10.1063/1674-0068/cjcp2211173","DOIUrl":"https://doi.org/10.1063/1674-0068/cjcp2211173","url":null,"abstract":"","PeriodicalId":10036,"journal":{"name":"Chinese Journal of Chemical Physics","volume":"38 1","pages":""},"PeriodicalIF":1.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"58530913","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
Size-Dependent Reactivity of Chromium Oxide Cluster Anions (CrO3)1−4O− towards Alkanes 氧化铬簇阴离子(CrO3)1−40−对烷烃的反应性
IF 1 4区 化学
Chinese Journal of Chemical Physics Pub Date : 2023-01-01 DOI: 10.1063/1674-0068/cjcp2303027
{"title":"Size-Dependent Reactivity of Chromium Oxide Cluster Anions (CrO3)1−4O− towards Alkanes","authors":"","doi":"10.1063/1674-0068/cjcp2303027","DOIUrl":"https://doi.org/10.1063/1674-0068/cjcp2303027","url":null,"abstract":"","PeriodicalId":10036,"journal":{"name":"Chinese Journal of Chemical Physics","volume":"1 1","pages":""},"PeriodicalIF":1.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"58532301","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
On-the-Fly Nonadiabatic Dynamics of Caffeic Acid Sunscreen Compound 咖啡酸防晒化合物的非绝热动态
IF 1 4区 化学
Chinese Journal of Chemical Physics Pub Date : 2023-01-01 DOI: 10.1063/1674-0068/cjcp2211171
{"title":"On-the-Fly Nonadiabatic Dynamics of Caffeic Acid Sunscreen Compound","authors":"","doi":"10.1063/1674-0068/cjcp2211171","DOIUrl":"https://doi.org/10.1063/1674-0068/cjcp2211171","url":null,"abstract":"","PeriodicalId":10036,"journal":{"name":"Chinese Journal of Chemical Physics","volume":"1 1","pages":""},"PeriodicalIF":1.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"58531307","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: 1
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