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Discrete newtonian dynamics with Nosé-Hoover thermostats 带诺塞-胡佛恒温器的离散牛顿动力学
IF 1.7 4区 化学
Molecular Physics Pub Date : 2024-02-07 DOI: 10.1080/00268976.2024.2314701
Søren Toxvaerd
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引用次数: 0
Prediction of the CH 4 -CO 2 mixture properties using SAFT-VR Mie equation of state and molecular dynamics simulations 利用 SAFT-VR 米氏状态方程和分子动力学模拟预测 CH 4 -CO 2 混合物的性质
IF 1.7 4区 化学
Molecular Physics Pub Date : 2024-02-07 DOI: 10.1080/00268976.2024.2313036
M. Sharifipour, Ali Nakhaee
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引用次数: 0
DFT study on the Ciclopirox anticancer drug interaction with AlN nanostructures: analysed by AIM, UV-Vis and Marcus theory of electron-transfer 关于环吡酮胺抗癌药物与氮化铝纳米结构相互作用的 DFT 研究：通过 AIM、紫外可见光和马库斯电子转移理论进行分析
IF 1.7 4区 化学
Molecular Physics Pub Date : 2024-02-07 DOI: 10.1080/00268976.2024.2314132
Mohamed J. Saadh, Tatiana Elizabeth Sánchez Herrera, Aya Mohammed Dhiaa, Oswaldo Villacrés Cáceres, Linda Mariuxi Flores Fiallos, Byron Stalin Rojas Oviedo, Alaa A. Omran, M. N. Hawas, Ahmed Elawady
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引用次数: 0
Prediction of the CH 4 -CO 2 mixture properties using SAFT-VR Mie equation of state and molecular dynamics simulations 利用 SAFT-VR 米氏状态方程和分子动力学模拟预测 CH 4 -CO 2 混合物的性质
IF 1.7 4区 化学
Molecular Physics Pub Date : 2024-02-07 DOI: 10.1080/00268976.2024.2313036
M. Sharifipour, Ali Nakhaee
{"title":"Prediction of the CH\u0000 4\u0000 -CO\u0000 2\u0000 mixture properties using SAFT-VR Mie equation of state and molecular dynamics simulations","authors":"M. Sharifipour, Ali Nakhaee","doi":"10.1080/00268976.2024.2313036","DOIUrl":"https://doi.org/10.1080/00268976.2024.2313036","url":null,"abstract":"","PeriodicalId":18817,"journal":{"name":"Molecular Physics","volume":null,"pages":null},"PeriodicalIF":1.7,"publicationDate":"2024-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139797936","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
DFT study on the Ciclopirox anticancer drug interaction with AlN nanostructures: analysed by AIM, UV-Vis and Marcus theory of electron-transfer 关于环吡酮胺抗癌药物与氮化铝纳米结构相互作用的 DFT 研究：通过 AIM、紫外可见光和马库斯电子转移理论进行分析
IF 1.7 4区 化学
Molecular Physics Pub Date : 2024-02-07 DOI: 10.1080/00268976.2024.2314132
Mohamed J. Saadh, Tatiana Elizabeth Sánchez Herrera, Aya Mohammed Dhiaa, Oswaldo Villacrés Cáceres, Linda Mariuxi Flores Fiallos, Byron Stalin Rojas Oviedo, Alaa A. Omran, M. N. Hawas, Ahmed Elawady
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引用次数: 0
Discrete newtonian dynamics with Nosé-Hoover thermostats 带诺塞-胡佛恒温器的离散牛顿动力学
IF 1.7 4区 化学
Molecular Physics Pub Date : 2024-02-07 DOI: 10.1080/00268976.2024.2314701
Søren Toxvaerd
{"title":"Discrete newtonian dynamics with Nosé-Hoover thermostats","authors":"Søren Toxvaerd","doi":"10.1080/00268976.2024.2314701","DOIUrl":"https://doi.org/10.1080/00268976.2024.2314701","url":null,"abstract":"","PeriodicalId":18817,"journal":{"name":"Molecular Physics","volume":null,"pages":null},"PeriodicalIF":1.7,"publicationDate":"2024-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139797852","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 information, entropy, and early stone tools 关于信息、熵和早期石器
IF 1.7 4区 化学
Molecular Physics Pub Date : 2024-02-03 DOI: 10.1080/00268976.2024.2310644
Fernando del Río, Rodrigo López-Hernández, Claudia Chaparro Velázquez
{"title":"On information, entropy, and early stone tools","authors":"Fernando del Río, Rodrigo López-Hernández, Claudia Chaparro Velázquez","doi":"10.1080/00268976.2024.2310644","DOIUrl":"https://doi.org/10.1080/00268976.2024.2310644","url":null,"abstract":"","PeriodicalId":18817,"journal":{"name":"Molecular Physics","volume":null,"pages":null},"PeriodicalIF":1.7,"publicationDate":"2024-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139808070","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 characteristics of the complexes resulting from the interaction of carbonyl selenide and hypohalous acids 关于硒化羰基与次卤酸相互作用产生的复合物特性的计算研究
IF 1.7 4区 化学
Molecular Physics Pub Date : 2024-02-03 DOI: 10.1080/00268976.2024.2313037
Mohammadmehdi Moradkhani, Yunes Abbasi Tyula
{"title":"Computational study on the characteristics of the complexes resulting from the interaction of carbonyl selenide and hypohalous acids","authors":"Mohammadmehdi Moradkhani, Yunes Abbasi Tyula","doi":"10.1080/00268976.2024.2313037","DOIUrl":"https://doi.org/10.1080/00268976.2024.2313037","url":null,"abstract":"","PeriodicalId":18817,"journal":{"name":"Molecular Physics","volume":null,"pages":null},"PeriodicalIF":1.7,"publicationDate":"2024-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139868091","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 characteristics of the complexes resulting from the interaction of carbonyl selenide and hypohalous acids 关于硒化羰基与次卤酸相互作用产生的复合物特性的计算研究
IF 1.7 4区 化学
Molecular Physics Pub Date : 2024-02-03 DOI: 10.1080/00268976.2024.2313037
Mohammadmehdi Moradkhani, Yunes Abbasi Tyula
{"title":"Computational study on the characteristics of the complexes resulting from the interaction of carbonyl selenide and hypohalous acids","authors":"Mohammadmehdi Moradkhani, Yunes Abbasi Tyula","doi":"10.1080/00268976.2024.2313037","DOIUrl":"https://doi.org/10.1080/00268976.2024.2313037","url":null,"abstract":"","PeriodicalId":18817,"journal":{"name":"Molecular Physics","volume":null,"pages":null},"PeriodicalIF":1.7,"publicationDate":"2024-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139808343","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 information, entropy, and early stone tools 关于信息、熵和早期石器
IF 1.7 4区 化学
Molecular Physics Pub Date : 2024-02-03 DOI: 10.1080/00268976.2024.2310644
Fernando del Río, Rodrigo López-Hernández, Claudia Chaparro Velázquez
{"title":"On information, entropy, and early stone tools","authors":"Fernando del Río, Rodrigo López-Hernández, Claudia Chaparro Velázquez","doi":"10.1080/00268976.2024.2310644","DOIUrl":"https://doi.org/10.1080/00268976.2024.2310644","url":null,"abstract":"","PeriodicalId":18817,"journal":{"name":"Molecular Physics","volume":null,"pages":null},"PeriodicalIF":1.7,"publicationDate":"2024-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139868218","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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