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Global monopole effects on exact s-state solution under trigonometric Pöschl–Teller potential 三角波氏-泰勒势能下全局单极对精确 S 态求解的影响
IF 1.7 4区 化学
Molecular Physics Pub Date : 2024-06-11 DOI: 10.1080/00268976.2024.2365420
Faizuddin Ahmed, Abdelmalek Bouzenada, A. Moreira
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引用次数: 0
Theoretical predictions of properties and adsorption behaviour of a superheavy element Ts and its lighter homolog At, and of their various gas-phase compounds, on hydroxylated quartz surfaces from periodic DFT calculations 通过周期性 DFT 计算对超重元素 Ts 及其较轻同系物 At 以及它们的各种气相化合物在羟基化石英表面上的性质和吸附行为的理论预测
IF 1.7 4区 化学
Molecular Physics Pub Date : 2024-06-11 DOI: 10.1080/00268976.2024.2363408
M. Iliaš, Valeria Pershina
{"title":"Theoretical predictions of properties and adsorption behaviour of a superheavy element Ts and its lighter homolog At, and of their various gas-phase compounds, on hydroxylated quartz surfaces from periodic DFT calculations","authors":"M. Iliaš, Valeria Pershina","doi":"10.1080/00268976.2024.2363408","DOIUrl":"https://doi.org/10.1080/00268976.2024.2363408","url":null,"abstract":"","PeriodicalId":18817,"journal":{"name":"Molecular Physics","volume":null,"pages":null},"PeriodicalIF":1.7,"publicationDate":"2024-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141360220","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
Computational study on the electronic states of tungsten nitride molecule 氮化钨分子电子态的计算研究
IF 1.7 4区 化学
Molecular Physics Pub Date : 2024-06-06 DOI: 10.1080/00268976.2024.2361116
Lidan Xiao, Yun Yang, Wenli Zou, Bing Yan
{"title":"Computational study on the electronic states of tungsten nitride molecule","authors":"Lidan Xiao, Yun Yang, Wenli Zou, Bing Yan","doi":"10.1080/00268976.2024.2361116","DOIUrl":"https://doi.org/10.1080/00268976.2024.2361116","url":null,"abstract":"","PeriodicalId":18817,"journal":{"name":"Molecular Physics","volume":null,"pages":null},"PeriodicalIF":1.7,"publicationDate":"2024-06-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141379230","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
Derivation of Morse potential 莫尔斯电势的推导
IF 1.7 4区 化学
Molecular Physics Pub Date : 2024-06-05 DOI: 10.1080/00268976.2024.2360542
Amir Mirzanejad, S. Varganov
{"title":"Derivation of Morse potential","authors":"Amir Mirzanejad, S. Varganov","doi":"10.1080/00268976.2024.2360542","DOIUrl":"https://doi.org/10.1080/00268976.2024.2360542","url":null,"abstract":"","PeriodicalId":18817,"journal":{"name":"Molecular Physics","volume":null,"pages":null},"PeriodicalIF":1.7,"publicationDate":"2024-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141382377","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
High-resolution FTIR spectroscopy and analysis of the K a  = 0 ← 1 subbands of the fundamentals ν 3 and ν 6 of the dimer (HF) 2 高分辨率傅立叶变换红外光谱和二聚体 (HF) 2 的基频 ν 3 和 ν 6 的 K a = 0 ← 1 子带分析
IF 1.7 4区 化学
Molecular Physics Pub Date : 2024-06-03 DOI: 10.1080/00268976.2024.2341106
H. Hollenstein, M. Hippler, G. Seyfang, M. Quack
{"title":"High-resolution FTIR spectroscopy and analysis of the\u0000 K\u0000 a\u0000  = 0 ← 1 subbands of the fundamentals\u0000 ν\u0000 3\u0000 and\u0000 ν\u0000 6\u0000 of the dimer (HF)\u0000 2","authors":"H. Hollenstein, M. Hippler, G. Seyfang, M. Quack","doi":"10.1080/00268976.2024.2341106","DOIUrl":"https://doi.org/10.1080/00268976.2024.2341106","url":null,"abstract":"","PeriodicalId":18817,"journal":{"name":"Molecular Physics","volume":null,"pages":null},"PeriodicalIF":1.7,"publicationDate":"2024-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141272696","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
Theoretical study of [3 + 3] annulation reaction of bromoenal with β-tetralone catalysed by N-heterocyclic carbene N 型杂环碳烯催化溴烯醛与 β-四氢萘酮的 [3 + 3] 环化反应的理论研究
IF 1.7 4区 化学
Molecular Physics Pub Date : 2024-06-03 DOI: 10.1080/00268976.2024.2358162
Zhiyi Song, Zhiqiang Zhang, Yan Li
{"title":"Theoretical study of [3 + 3] annulation reaction of bromoenal with β-tetralone catalysed by N-heterocyclic carbene","authors":"Zhiyi Song, Zhiqiang Zhang, Yan Li","doi":"10.1080/00268976.2024.2358162","DOIUrl":"https://doi.org/10.1080/00268976.2024.2358162","url":null,"abstract":"","PeriodicalId":18817,"journal":{"name":"Molecular Physics","volume":null,"pages":null},"PeriodicalIF":1.7,"publicationDate":"2024-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141271434","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
Dibridged, monobridged, Y-shaped and linear structures of A 2 H 2 molecules, with A = H, Li, Be, B, C, N, O and F. From acetylene to vinylidene A 2 H 2 分子的双桥、单桥、Y 型和线型结构，其中 A = H、Li、Be、B、C、N、O 和 F。
IF 1.7 4区 化学
Molecular Physics Pub Date : 2024-06-03 DOI: 10.1080/00268976.2024.2356750
Friedrich Grein
{"title":"Dibridged, monobridged, Y-shaped and linear structures of A\u0000 2\u0000 H\u0000 2\u0000 molecules, with A = H, Li, Be, B, C, N, O and F. From acetylene to vinylidene","authors":"Friedrich Grein","doi":"10.1080/00268976.2024.2356750","DOIUrl":"https://doi.org/10.1080/00268976.2024.2356750","url":null,"abstract":"","PeriodicalId":18817,"journal":{"name":"Molecular Physics","volume":null,"pages":null},"PeriodicalIF":1.7,"publicationDate":"2024-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141269583","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
Relativistic energy spectra of diatomic molecules through the solutions of general conformable fractional (GCF) Klein-Gordon equation for Hulthen potential with position-dependent mass (PDM) and the thermodynamic properties 通过具有位置相关质量（PDM）的赫尔岑势的一般共形分式（GCF）克莱因-戈登方程的解来研究二原子分子的相对论能谱以及热力学性质
IF 1.7 4区 化学
Molecular Physics Pub Date : 2024-06-03 DOI: 10.1080/00268976.2024.2356182
L. K. Permatahati, A. Suparmi, A. Fuad, C. Cari
{"title":"Relativistic energy spectra of diatomic molecules through the solutions of general conformable fractional (GCF) Klein-Gordon equation for Hulthen potential with position-dependent mass (PDM) and the thermodynamic properties","authors":"L. K. Permatahati, A. Suparmi, A. Fuad, C. Cari","doi":"10.1080/00268976.2024.2356182","DOIUrl":"https://doi.org/10.1080/00268976.2024.2356182","url":null,"abstract":"","PeriodicalId":18817,"journal":{"name":"Molecular Physics","volume":null,"pages":null},"PeriodicalIF":1.7,"publicationDate":"2024-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141272313","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
A data-driven exploration of the complexity of the phosphorus-centered pnictogen bonds 以数据为导向探索以磷为中心的 pnictogen 键的复杂性
IF 1.7 4区 化学
Molecular Physics Pub Date : 2024-05-24 DOI: 10.1080/00268976.2024.2359013
Fang Liu, Haiyan Wang, Likai Du
{"title":"A data-driven exploration of the complexity of the phosphorus-centered pnictogen bonds","authors":"Fang Liu, Haiyan Wang, Likai Du","doi":"10.1080/00268976.2024.2359013","DOIUrl":"https://doi.org/10.1080/00268976.2024.2359013","url":null,"abstract":"","PeriodicalId":18817,"journal":{"name":"Molecular Physics","volume":null,"pages":null},"PeriodicalIF":1.7,"publicationDate":"2024-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141101012","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
Photophysical and antitubercular studies on newly synthesised structurally architectured sulphonamide 新合成的结构化磺酰胺的光物理和抗结核研究
IF 1.7 4区 化学
Molecular Physics Pub Date : 2024-05-23 DOI: 10.1080/00268976.2024.2356189
Pampapathi Shekharagouda, G. P. Mamatha, G. Nagaraju, Chethan Krishnamurthy, Vinodkumar P. Sajjan, Bandar Ali Al-Asbahi, Naif Mohammed Al-Hada, Babu Giriya Gowda, Lohit Naik
{"title":"Photophysical and antitubercular studies on newly synthesised structurally architectured sulphonamide","authors":"Pampapathi Shekharagouda, G. P. Mamatha, G. Nagaraju, Chethan Krishnamurthy, Vinodkumar P. Sajjan, Bandar Ali Al-Asbahi, Naif Mohammed Al-Hada, Babu Giriya Gowda, Lohit Naik","doi":"10.1080/00268976.2024.2356189","DOIUrl":"https://doi.org/10.1080/00268976.2024.2356189","url":null,"abstract":"","PeriodicalId":18817,"journal":{"name":"Molecular Physics","volume":null,"pages":null},"PeriodicalIF":1.7,"publicationDate":"2024-05-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141106228","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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