Pub Date : 2024-01-02DOI: 10.1080/00268976.2023.2300516
Takeru Yamanouchi, Akira Satoh
{"title":"Elucidation of the trapping characteristics of magnetic disk-like particles in a Hagen-Poiseuille flow via Brownian dynamics simulations (usage of multi-magnetic poles)","authors":"Takeru Yamanouchi, Akira Satoh","doi":"10.1080/00268976.2023.2300516","DOIUrl":"https://doi.org/10.1080/00268976.2023.2300516","url":null,"abstract":"","PeriodicalId":18817,"journal":{"name":"Molecular Physics","volume":"77 9","pages":""},"PeriodicalIF":1.7,"publicationDate":"2024-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139452250","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 : 2023-12-29DOI: 10.1080/00268976.2023.2296613
W. Silva, Divita Gupta, Eline Plaar, José Luis Doménech, S. Schlemmer, O. Asvany
{"title":"High resolution rovibrational and rotational spectroscopy of H 2 CCCH +","authors":"W. Silva, Divita Gupta, Eline Plaar, José Luis Doménech, S. Schlemmer, O. Asvany","doi":"10.1080/00268976.2023.2296613","DOIUrl":"https://doi.org/10.1080/00268976.2023.2296613","url":null,"abstract":"","PeriodicalId":18817,"journal":{"name":"Molecular Physics","volume":" 12","pages":""},"PeriodicalIF":1.7,"publicationDate":"2023-12-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139145055","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 : 2023-12-28DOI: 10.1080/00268976.2023.2299232
Nandhini Panjulingam, Senthilkumar Lakshmipathi
{"title":"Vanadium doped B 5 N 3 and B 7 N 5 monolayer as single atom catalyst for nitrogen reduction reaction – a first-principles study","authors":"Nandhini Panjulingam, Senthilkumar Lakshmipathi","doi":"10.1080/00268976.2023.2299232","DOIUrl":"https://doi.org/10.1080/00268976.2023.2299232","url":null,"abstract":"","PeriodicalId":18817,"journal":{"name":"Molecular Physics","volume":"204 2","pages":""},"PeriodicalIF":1.7,"publicationDate":"2023-12-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139153066","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 : 2023-12-26DOI: 10.1080/00268976.2023.2297014
Yonghan Wang, Shuwen Chen, Xia Leng
{"title":"Effect of thienyl group on absorption spectra and excitation energy transfer of eco-friendly organic heterojunction from theoretical methods","authors":"Yonghan Wang, Shuwen Chen, Xia Leng","doi":"10.1080/00268976.2023.2297014","DOIUrl":"https://doi.org/10.1080/00268976.2023.2297014","url":null,"abstract":"","PeriodicalId":18817,"journal":{"name":"Molecular Physics","volume":"59 7","pages":""},"PeriodicalIF":1.7,"publicationDate":"2023-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139155260","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 : 2023-12-26DOI: 10.1080/00268976.2023.2297819
Adittya Pal, B. L. Bhargava
{"title":"On hydrogen bonding in two carboxyl-functionalised imidazolium based ionic liquids","authors":"Adittya Pal, B. L. Bhargava","doi":"10.1080/00268976.2023.2297819","DOIUrl":"https://doi.org/10.1080/00268976.2023.2297819","url":null,"abstract":"","PeriodicalId":18817,"journal":{"name":"Molecular Physics","volume":"15 45","pages":""},"PeriodicalIF":1.7,"publicationDate":"2023-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139156303","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 : 2023-12-26DOI: 10.1080/00268976.2023.2293229
M. Iliaš, Valeria Pershina
{"title":"Theoretical predictions of properties and adsorption behaviour of group 1 and 2 elements, including elements 119 and 120, on hydroxylated quartz surfaces from periodic DFT calculations","authors":"M. Iliaš, Valeria Pershina","doi":"10.1080/00268976.2023.2293229","DOIUrl":"https://doi.org/10.1080/00268976.2023.2293229","url":null,"abstract":"","PeriodicalId":18817,"journal":{"name":"Molecular Physics","volume":"21 9","pages":""},"PeriodicalIF":1.7,"publicationDate":"2023-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139156124","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 : 2023-12-23DOI: 10.1080/00268976.2023.2294154
M. Abosaooda, Hala Bahir, Nawras Ali Salman, Sarah Kamil Abbood, Laith Yassen Qassem, Israa Abdul Kadhim Jassem, Mohammed Ayyed Najm, Hamed Soleymanabadi
{"title":"Evaluate the potential utilisation of B 3 S monolayer as a novel formaldehyde gas sensor","authors":"M. Abosaooda, Hala Bahir, Nawras Ali Salman, Sarah Kamil Abbood, Laith Yassen Qassem, Israa Abdul Kadhim Jassem, Mohammed Ayyed Najm, Hamed Soleymanabadi","doi":"10.1080/00268976.2023.2294154","DOIUrl":"https://doi.org/10.1080/00268976.2023.2294154","url":null,"abstract":"","PeriodicalId":18817,"journal":{"name":"Molecular Physics","volume":"25 5","pages":""},"PeriodicalIF":1.7,"publicationDate":"2023-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139161755","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 : 2023-12-23DOI: 10.1080/00268976.2023.2295427
Solo Lorin, D. Rajaraman, S. Sonadevi, R. Jaganathan, P. Kumaradhas, L. Anthony, K. Nagarajan, K. Raja
{"title":"Synthesis, quantum chemical studies, molecular docking, molecular dynamics simulation and ADMET studies on 2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1, 4,5-triphenyl-1 H -imidazole derivatives","authors":"Solo Lorin, D. Rajaraman, S. Sonadevi, R. Jaganathan, P. Kumaradhas, L. Anthony, K. Nagarajan, K. Raja","doi":"10.1080/00268976.2023.2295427","DOIUrl":"https://doi.org/10.1080/00268976.2023.2295427","url":null,"abstract":"","PeriodicalId":18817,"journal":{"name":"Molecular Physics","volume":"9 3","pages":""},"PeriodicalIF":1.7,"publicationDate":"2023-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139162384","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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