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Study of Liquid Dimethyl Sulfoxide by Computer Simulation 液体二甲基亚砜的计算机模拟研究
Molecular Engineering Pub Date : 1999-12-01 DOI: 10.1023/A:1008359313897
J. Cordeiro
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引用次数: 7
Application of Photochemical Trajectory Model to Evaluate OzoneFormation by Atmospheric Concentrations and Emissions of Propane andButane in Mexico City Metropolitan Zone 应用光化学轨迹模型评价墨西哥城市区大气中丙烷和丁烷的浓度和排放对臭氧的影响
Molecular Engineering Pub Date : 1999-12-01 DOI: 10.1023/A:1008397227770
F. Hernández, E. Oritz
{"title":"Application of Photochemical Trajectory Model to Evaluate OzoneFormation by Atmospheric Concentrations and Emissions of Propane andButane in Mexico City Metropolitan Zone","authors":"F. Hernández, E. Oritz","doi":"10.1023/A:1008397227770","DOIUrl":"https://doi.org/10.1023/A:1008397227770","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"36 1","pages":"447-458"},"PeriodicalIF":0.0,"publicationDate":"1999-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89454195","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: 1
Computer Simulation of the Beta Structure, with Different Lattice Ions and Reactivity, of Hydroperoxo-Metal Complexes Using an Embedded-Cluster Method 用嵌入簇方法模拟具有不同晶格离子和反应活性的氢过氧金属配合物的β结构
Molecular Engineering Pub Date : 1999-12-01 DOI: 10.1023/A:1008338026553
R. Dimitrova, M. Popova
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引用次数: 2
Environmental Effect of Sol-Gel Encapsulation on Photochromic andThermocliromic Anils 溶胶-凝胶包封对光致变色和热致变色动物的环境影响
Molecular Engineering Pub Date : 1999-12-01 DOI: 10.1023/A:1008310718276
E. Hadjoudis, V. Verganelakis, C. Trapalis, G. Kordas
{"title":"Environmental Effect of Sol-Gel Encapsulation on Photochromic andThermocliromic Anils","authors":"E. Hadjoudis, V. Verganelakis, C. Trapalis, G. Kordas","doi":"10.1023/A:1008310718276","DOIUrl":"https://doi.org/10.1023/A:1008310718276","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"84 1","pages":"459-469"},"PeriodicalIF":0.0,"publicationDate":"1999-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83992949","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: 16
Molecular Orbital Study of the Magnetic Properties of Pyrazine- and Pyrimidine-Bridged Copper(II) Complexes 吡嗪和嘧啶桥接铜配合物磁性能的分子轨道研究
Molecular Engineering Pub Date : 1999-12-01 DOI: 10.1023/A:1008300621000
F. Mohri, K. Yoshizawa, Tokio Yambe, T. Ishida, T. Nogami
{"title":"Molecular Orbital Study of the Magnetic Properties of Pyrazine- and Pyrimidine-Bridged Copper(II) Complexes","authors":"F. Mohri, K. Yoshizawa, Tokio Yambe, T. Ishida, T. Nogami","doi":"10.1023/A:1008300621000","DOIUrl":"https://doi.org/10.1023/A:1008300621000","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"81 1","pages":"357-373"},"PeriodicalIF":0.0,"publicationDate":"1999-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88372532","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: 17
A Study of the Degree of Charge Transfer in TTF Molecular Complexes with Nitro-Carboxylated Fluorene Derivatives 硝基羧基芴衍生物TTF分子配合物中电荷转移度的研究
Molecular Engineering Pub Date : 1999-12-01 DOI: 10.1023/A:1008384013189
A. Salmerón-valverde, J. G. Robles-Martínez, J. García-Serrano, R. Gómez, R. Ridaura, M. Quintana, A. Zehe
{"title":"A Study of the Degree of Charge Transfer in TTF Molecular Complexes with Nitro-Carboxylated Fluorene Derivatives","authors":"A. Salmerón-valverde, J. G. Robles-Martínez, J. García-Serrano, R. Gómez, R. Ridaura, M. Quintana, A. Zehe","doi":"10.1023/A:1008384013189","DOIUrl":"https://doi.org/10.1023/A:1008384013189","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"26 1","pages":"419-426"},"PeriodicalIF":0.0,"publicationDate":"1999-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81604705","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: 13
Role of Molecular Electronic Properties of Some Novel Antimalarial Cyclic Peroxy Ketals in Relation to Potency and Potential Toxicity 一些新型抗疟药环过氧酮分子电子性质在效价和潜在毒性中的作用
Molecular Engineering Pub Date : 1999-12-01 DOI: 10.1023/A:1008341412933
A. Bhattacharjee, J. Karle
{"title":"Role of Molecular Electronic Properties of Some Novel Antimalarial Cyclic Peroxy Ketals in Relation to Potency and Potential Toxicity","authors":"A. Bhattacharjee, J. Karle","doi":"10.1023/A:1008341412933","DOIUrl":"https://doi.org/10.1023/A:1008341412933","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"16 1","pages":"391-401"},"PeriodicalIF":0.0,"publicationDate":"1999-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90341517","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
Single Crystalline GexSi1-x Compound Formation by Energetic Ge+-Ion Implantation into Silicon Wafers 高能锗离子注入硅片形成单晶GexSi1-x化合物
Molecular Engineering Pub Date : 1999-12-01 DOI: 10.1023/A:1008313328746
A. Ramírez, A. Zehe, A. Thomas
{"title":"Single Crystalline GexSi1-x Compound Formation by Energetic Ge+-Ion Implantation into Silicon Wafers","authors":"A. Ramírez, A. Zehe, A. Thomas","doi":"10.1023/A:1008313328746","DOIUrl":"https://doi.org/10.1023/A:1008313328746","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"2 1","pages":"383-390"},"PeriodicalIF":0.0,"publicationDate":"1999-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84502428","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
Variation of Charge Transfer in Zn-naphtholimines with TCNQ TCNQ对zn -萘胺中电荷转移的影响
Molecular Engineering Pub Date : 1999-12-01 DOI: 10.1023/A:1008336505281
J. G. Robles-Martínez, A. Salmerón-valverde, J. Argüelles-Ramírez, A. Zehe
{"title":"Variation of Charge Transfer in Zn-naphtholimines with TCNQ","authors":"J. G. Robles-Martínez, A. Salmerón-valverde, J. Argüelles-Ramírez, A. Zehe","doi":"10.1023/A:1008336505281","DOIUrl":"https://doi.org/10.1023/A:1008336505281","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"34 1","pages":"411-417"},"PeriodicalIF":0.0,"publicationDate":"1999-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85138858","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: 6
Geometry of Multi-Tube Carbon Clusters and Electronic Transmission in Nanotube Contacts 多管碳团簇的几何结构和纳米管接触中的电子传输
Molecular Engineering Pub Date : 1999-12-01 DOI: 10.1023/A:1008342925348
S. M. Ferrer, N. Khokhriakov, S. S. Savinskiĭ
{"title":"Geometry of Multi-Tube Carbon Clusters and Electronic Transmission in Nanotube Contacts","authors":"S. M. Ferrer, N. Khokhriakov, S. S. Savinskiĭ","doi":"10.1023/A:1008342925348","DOIUrl":"https://doi.org/10.1023/A:1008342925348","url":null,"abstract":"","PeriodicalId":18757,"journal":{"name":"Molecular Engineering","volume":"49 1","pages":"315-344"},"PeriodicalIF":0.0,"publicationDate":"1999-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85890224","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: 10
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