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Isotopic shifts in 3 P states of the carbon atom 碳原子 3 个 P 态的同位素偏移
Molecular Physics Pub Date : 2024-03-05 DOI: 10.1080/00268976.2024.2325049
S. Nasiri, S. Bubin, L. Adamowicz
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引用次数: 0
The mean square displacement of a ballistic quantum particle 弹道量子粒子的均方位移
Molecular Physics Pub Date : 2024-03-04 DOI: 10.1080/00268976.2024.2322023
O. Bindech, F. Gatti, S. Mandal, R. Marquardt, L. Shi, J. C. Tremblay
{"title":"The mean square displacement of a ballistic quantum particle","authors":"O. Bindech, F. Gatti, S. Mandal, R. Marquardt, L. Shi, J. C. Tremblay","doi":"10.1080/00268976.2024.2322023","DOIUrl":"https://doi.org/10.1080/00268976.2024.2322023","url":null,"abstract":"","PeriodicalId":502799,"journal":{"name":"Molecular Physics","volume":"24 12","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140265969","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Effect of particle size distribution on aggregate structures of cubic hematite particles in quasi-2D system (without applied magnetic field) 粒度分布对准二维系统（无外加磁场）中立方赤铁矿颗粒聚集结构的影响
Molecular Physics Pub Date : 2024-02-29 DOI: 10.1080/00268976.2024.2323628
Kazuya Okada, Akira Satoh
{"title":"Effect of particle size distribution on aggregate structures of cubic hematite particles in quasi-2D system (without applied magnetic field)","authors":"Kazuya Okada, Akira Satoh","doi":"10.1080/00268976.2024.2323628","DOIUrl":"https://doi.org/10.1080/00268976.2024.2323628","url":null,"abstract":"","PeriodicalId":502799,"journal":{"name":"Molecular Physics","volume":"18 4","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140413504","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Insights into solvent polarity associated geometries and ESIPT behaviours for Prz3HC: a theoretical study 深入了解 Prz3HC 的溶剂极性相关几何形状和 ESIPT 行为：一项理论研究
Molecular Physics Pub Date : 2024-02-28 DOI: 10.1080/00268976.2024.2324133
Chaozheng Li, Rivaille Liu, Hao Dong
{"title":"Insights into solvent polarity associated geometries and ESIPT behaviours for Prz3HC: a theoretical study","authors":"Chaozheng Li, Rivaille Liu, Hao Dong","doi":"10.1080/00268976.2024.2324133","DOIUrl":"https://doi.org/10.1080/00268976.2024.2324133","url":null,"abstract":"","PeriodicalId":502799,"journal":{"name":"Molecular Physics","volume":"137 37","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140423481","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","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 polyurethane/functionalised carbon nanotube interfacial interactions on tensile and compressive properties – molecular dynamics simulations 聚氨酯/功能化碳纳米管界面相互作用对拉伸和压缩性能的影响--分子动力学模拟
Molecular Physics Pub Date : 2024-02-26 DOI: 10.1080/00268976.2024.2319824
Zilin Wang, Xuwen Wang, Xiaoyong Huang, Yaqin Li, Wenfei Wang, Yizheng Fu
{"title":"Effects of polyurethane/functionalised carbon nanotube interfacial interactions on tensile and compressive properties – molecular dynamics simulations","authors":"Zilin Wang, Xuwen Wang, Xiaoyong Huang, Yaqin Li, Wenfei Wang, Yizheng Fu","doi":"10.1080/00268976.2024.2319824","DOIUrl":"https://doi.org/10.1080/00268976.2024.2319824","url":null,"abstract":"","PeriodicalId":502799,"journal":{"name":"Molecular Physics","volume":"196 S567","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140428379","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A molecular dynamics study on the solid–liquid polymer interface: insight into the effect of surface roughness scale and polymer chain length on interfacial thermal resistance 固液聚合物界面的分子动力学研究：洞察表面粗糙度尺度和聚合物链长对界面热阻的影响
Molecular Physics Pub Date : 2024-02-26 DOI: 10.1080/00268976.2024.2321311
Qing-Yao Luo, D. Surblys, Hiroki Matsubara, Taku Ohara
{"title":"A molecular dynamics study on the solid–liquid polymer interface: insight into the effect of surface roughness scale and polymer chain length on interfacial thermal resistance","authors":"Qing-Yao Luo, D. Surblys, Hiroki Matsubara, Taku Ohara","doi":"10.1080/00268976.2024.2321311","DOIUrl":"https://doi.org/10.1080/00268976.2024.2321311","url":null,"abstract":"","PeriodicalId":502799,"journal":{"name":"Molecular Physics","volume":"39 3","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140431663","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Theoretical investigation of atomic dynamics of molten metals at melting points 熔融金属在熔点处的原子动力学理论研究
Molecular Physics Pub Date : 2024-02-26 DOI: 10.1080/00268976.2024.2321298
Mayank H. Jani, A. M. Vora
{"title":"Theoretical investigation of atomic dynamics of molten metals at melting points","authors":"Mayank H. Jani, A. M. Vora","doi":"10.1080/00268976.2024.2321298","DOIUrl":"https://doi.org/10.1080/00268976.2024.2321298","url":null,"abstract":"","PeriodicalId":502799,"journal":{"name":"Molecular Physics","volume":"147 5‐6","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140428783","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Synthesis, crystal structure, spectroscopy and quantum chemical investigations of hexahydroquinoline molecule 六氢喹啉分子的合成、晶体结构、光谱学和量子化学研究
Molecular Physics Pub Date : 2024-02-22 DOI: 10.1080/00268976.2024.2320784
H. Bülbül, Gökalp Çetin, Y. Köysal, R. Şimşek, Sema Öztürk Yıldırım, H. Tanak, R. Butcher
{"title":"Synthesis, crystal structure, spectroscopy and quantum chemical investigations of hexahydroquinoline molecule","authors":"H. Bülbül, Gökalp Çetin, Y. Köysal, R. Şimşek, Sema Öztürk Yıldırım, H. Tanak, R. Butcher","doi":"10.1080/00268976.2024.2320784","DOIUrl":"https://doi.org/10.1080/00268976.2024.2320784","url":null,"abstract":"","PeriodicalId":502799,"journal":{"name":"Molecular Physics","volume":"3 S1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140439139","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Exploring the photophysical properties of flavone-based dyes as an anti-angiogenic agent and with fluorescence emission in the near-infrared (NIR) region: a TD-DFT study 探索作为抗血管生成剂并在近红外（NIR）区域发射荧光的黄酮类染料的光物理特性：一项 TD-DFT 研究
Molecular Physics Pub Date : 2024-02-22 DOI: 10.1080/00268976.2024.2317451
H. Roohi, V. Pourghasem
{"title":"Exploring the photophysical properties of flavone-based dyes as an anti-angiogenic agent and with fluorescence emission in the near-infrared (NIR) region: a TD-DFT study","authors":"H. Roohi, V. Pourghasem","doi":"10.1080/00268976.2024.2317451","DOIUrl":"https://doi.org/10.1080/00268976.2024.2317451","url":null,"abstract":"","PeriodicalId":502799,"journal":{"name":"Molecular Physics","volume":"79 9","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140440091","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Equilibrium structure of nitrogen dioxide revisited 再论二氧化氮的平衡结构
Molecular Physics Pub Date : 2024-02-19 DOI: 10.1080/00268976.2024.2318016
J. Demaison, J. Liévin, Agnès Perrin
{"title":"Equilibrium structure of nitrogen dioxide revisited","authors":"J. Demaison, J. Liévin, Agnès Perrin","doi":"10.1080/00268976.2024.2318016","DOIUrl":"https://doi.org/10.1080/00268976.2024.2318016","url":null,"abstract":"","PeriodicalId":502799,"journal":{"name":"Molecular Physics","volume":"10 8","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140450403","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","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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