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Green Chemistry and Computational Chemistry最新文献

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Computational studies of ruthenium and iridium complexes for energy sciences and progress on greener alternatives 钌和铱配合物在能源科学中的计算研究和绿色替代品的进展
Green Chemistry and Computational Chemistry Pub Date : 2020-03-08 DOI: 10.1016/b978-0-12-819879-7.00042-8
Denis Magero, T. Mestiri, K. Alimi, M. E. Casida
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引用次数: 2
Modelling the physical properties of environmentally friendly optical magnetic switches: DFT and TD-DFT 环境友好型光磁开关的物理特性建模:DFT和TD-DFT
Green Chemistry and Computational Chemistry Pub Date : 2012-01-11 DOI: 10.1016/b978-0-12-819879-7.00015-5
L. M. L. Daku, M. E. Casida
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引用次数: 1
Multiscale strategies for describing environment effects: From solvents to biomatrices 描述环境效应的多尺度策略:从溶剂到生物基质
Green Chemistry and Computational Chemistry Pub Date : 1900-01-01 DOI: 10.1016/b978-0-12-819879-7.00005-2
B. Mennucci
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引用次数: 1
Computational chemistry: Studying the properties and behaviours of molecules 计算化学:研究分子的性质和行为
Green Chemistry and Computational Chemistry Pub Date : 1900-01-01 DOI: 10.1016/b978-0-12-819879-7.00040-4
L. Mammino
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引用次数: 3
Downscaling an open quantum system: An atomistic approach applied to photovoltaics 缩小开放量子系统:应用于光伏的原子方法
Green Chemistry and Computational Chemistry Pub Date : 1900-01-01 DOI: 10.1016/b978-0-12-819879-7.00006-4
David Dell’Angelo, Sandra E Brown, Mohammad R. Momeni Taheri, F. Shakib
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引用次数: 1
Green chemistry approaches to the synthesis of pyrazoline steroid derivatives and their theoretical DFT characterization 绿色化学方法合成吡唑啉甾类衍生物及其理论DFT表征
Green Chemistry and Computational Chemistry Pub Date : 1900-01-01 DOI: 10.1016/b978-0-12-819879-7.00008-8
M. Castro Sánchez, Lisset Noriega, J. M. Perez-Aguilar, Norma A. Caballero-Concha, Penélope Merino-Montiel, Anabel Romero López, F. M. Melendez Bustamante
{"title":"Green chemistry approaches to the synthesis of pyrazoline steroid derivatives and their theoretical DFT characterization","authors":"M. Castro Sánchez, Lisset Noriega, J. M. Perez-Aguilar, Norma A. Caballero-Concha, Penélope Merino-Montiel, Anabel Romero López, F. M. Melendez Bustamante","doi":"10.1016/b978-0-12-819879-7.00008-8","DOIUrl":"https://doi.org/10.1016/b978-0-12-819879-7.00008-8","url":null,"abstract":"","PeriodicalId":435736,"journal":{"name":"Green Chemistry and Computational Chemistry","volume":"11 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"132713888","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: 3
State-of-the-art of computational green chemistry in leading universities in Russia 俄罗斯顶尖大学计算绿色化学的最新进展
Green Chemistry and Computational Chemistry Pub Date : 1900-01-01 DOI: 10.1016/b978-0-12-819879-7.00041-6
M. Khrenova, V. Tsirelson, E. Lokteva, N. Tarasova
{"title":"State-of-the-art of computational green chemistry in leading universities in Russia","authors":"M. Khrenova, V. Tsirelson, E. Lokteva, N. Tarasova","doi":"10.1016/b978-0-12-819879-7.00041-6","DOIUrl":"https://doi.org/10.1016/b978-0-12-819879-7.00041-6","url":null,"abstract":"","PeriodicalId":435736,"journal":{"name":"Green Chemistry and Computational Chemistry","volume":"191 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"133583343","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
Computational chemistry and the study and design of catalysts 计算化学和催化剂的研究与设计
Green Chemistry and Computational Chemistry Pub Date : 1900-01-01 DOI: 10.1016/b978-0-12-819879-7.00010-6
David Dell’Angelo
{"title":"Computational chemistry and the study and design of catalysts","authors":"David Dell’Angelo","doi":"10.1016/b978-0-12-819879-7.00010-6","DOIUrl":"https://doi.org/10.1016/b978-0-12-819879-7.00010-6","url":null,"abstract":"","PeriodicalId":435736,"journal":{"name":"Green Chemistry and Computational Chemistry","volume":"14 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"116991973","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: 2
Index 指数
Green Chemistry and Computational Chemistry Pub Date : 1900-01-01 DOI: 10.1016/b978-0-12-819879-7.09987-6
{"title":"Index","authors":"","doi":"10.1016/b978-0-12-819879-7.09987-6","DOIUrl":"https://doi.org/10.1016/b978-0-12-819879-7.09987-6","url":null,"abstract":"","PeriodicalId":435736,"journal":{"name":"Green Chemistry and Computational Chemistry","volume":"283 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"124525668","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
Therapeutically valuable bioactive extracts from Mediterranean plants: Green technologies and molecular modelling for a viable endeavour 地中海植物中具有治疗价值的生物活性提取物:绿色技术和可行努力的分子模型
Green Chemistry and Computational Chemistry Pub Date : 1900-01-01 DOI: 10.1016/b978-0-12-819879-7.00014-3
Cristina Tomasella, A. Binello, S. Guccione, G. Cravotto
{"title":"Therapeutically valuable bioactive extracts from Mediterranean plants: Green technologies and molecular modelling for a viable endeavour","authors":"Cristina Tomasella, A. Binello, S. Guccione, G. Cravotto","doi":"10.1016/b978-0-12-819879-7.00014-3","DOIUrl":"https://doi.org/10.1016/b978-0-12-819879-7.00014-3","url":null,"abstract":"","PeriodicalId":435736,"journal":{"name":"Green Chemistry and Computational Chemistry","volume":"17 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"126762490","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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