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Recent Progress in Computational Sciences and Engineering最新文献

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Modeling of Molecular and Chiral Recognition by Cyclodextrins 环糊精分子和手性识别的建模
Recent Progress in Computational Sciences and Engineering Pub Date : 2019-05-07 DOI: 10.1201/9780429070655-177
H. Dodziuk
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引用次数: 0
Theoretical Studies on the Alanine-rich Peptide 富丙氨酸肽的理论研究
Recent Progress in Computational Sciences and Engineering Pub Date : 2019-05-07 DOI: 10.1201/9780429070655-86
J. Makowska, M. Makowski, L. Chmurzyński
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引用次数: 0
Different Effect of Solvent on Electronic and Vibrational Spectra 溶剂对电子和振动谱的不同影响
Recent Progress in Computational Sciences and Engineering Pub Date : 2019-05-07 DOI: 10.1201/9780429070655-60
Josef Kapitán, J. Sebek, P. Bouř
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引用次数: 0
Hybrid-DFT study on the high-valent metal-oxo bonds in manganese porphyrins and related species 锰卟啉及其相关物质中高价金属-氧键的杂化- dft研究
Recent Progress in Computational Sciences and Engineering Pub Date : 2019-05-07 DOI: 10.1201/9780429070655-66
K. Koizumi, M. Shoji, Y. Kitagawa, H. Isobe, R. Takeda, S. Yamanaka, K. Yamaguchi
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引用次数: 0
Configurational and Conformational Properties of Cyclododeca-1,2,7,8-tetraene: An Ab Inito Study and NBO Analysis 环十二-1,2,7,8-四烯的构型和构象性质:Ab - Inito研究和NBO分析
Recent Progress in Computational Sciences and Engineering Pub Date : 2019-05-07 DOI: 10.1201/9780429070655-102
D. Nori-Shargh, Fatemeh-Rozita Ghizadeh, Maryam Malekhosseini, F. Deyhimi
{"title":"Configurational and Conformational Properties of Cyclododeca-1,2,7,8-tetraene: An Ab Inito Study and NBO Analysis","authors":"D. Nori-Shargh, Fatemeh-Rozita Ghizadeh, Maryam Malekhosseini, F. Deyhimi","doi":"10.1201/9780429070655-102","DOIUrl":"https://doi.org/10.1201/9780429070655-102","url":null,"abstract":"","PeriodicalId":350909,"journal":{"name":"Recent Progress in Computational Sciences and Engineering","volume":"42 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"124112207","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
The Gradient Curves Method: An improved strategy for the derivation of molecular mechanics valence force fields from ab initio data 梯度曲线法:一种从从头算数据推导分子力学价力场的改进方法
Recent Progress in Computational Sciences and Engineering Pub Date : 2019-05-07 DOI: 10.1201/9780429070655-137
T. Verstraelent, D. Van Neck, P. Ayers, V. Van Speybroeck, M. Waroquier
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引用次数: 0
On the Determinants of Optimal Capacity of Water Treatment Plants Operating within a Network 在一个网络内运行的水处理厂最优容量的决定因素
Recent Progress in Computational Sciences and Engineering Pub Date : 2019-05-07 DOI: 10.1201/9780429070655-148
F. Batzias, C. Saridaki
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引用次数: 0
Role of Turbulence Modeling for Leading Edge Vortical Flow 湍流模拟在前缘涡旋中的作用
Recent Progress in Computational Sciences and Engineering Pub Date : 2019-05-07 DOI: 10.1201/9780429070655-7
A. Haque, A. Jabbar, J. Khawar, Sajid Raza Chaudhary
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引用次数: 0
An efficient collocation Method for Diffusion-Convection Problem with Chemical Reaction 化学反应扩散-对流问题的有效配置方法
Recent Progress in Computational Sciences and Engineering Pub Date : 2019-05-07 DOI: 10.1201/9780429070655-4
K. Alhumaizi, M. A. Soliman
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引用次数: 0
Probability Mapping in Cluster Spatial Processes. Computational and Analytical Solutions Through Copulas 集群空间过程中的概率映射。通过copula的计算和解析解
Recent Progress in Computational Sciences and Engineering Pub Date : 2019-05-07 DOI: 10.1201/9780429070655-92
J. Mateu, C. Comas, E. Porcu, J. A. López
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引用次数: 0
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