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Material Type: Artigo
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Nonadditive ion effects on the coil-globule equilibrium of PNIPAM: a computer simulation studyZhao, Yani ; Bharadwaj, Swaminath ; van der Vegt, Nico F. APhysical chemistry chemical physics : PCCP, 2022-05, Vol.24 (17), p.1346-1355 [Periódico revisado por pares]England: Royal Society of ChemistryTexto completo disponível |
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Material Type: Artigo
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Self-assembly in systems based on l -cysteine–silver-nitrate aqueous solution: multiscale computer simulationMalyshev, Maxim D. ; Khizhnyak, Svetlana D. ; Zherenkova, Lubov V. ; Pakhomov, Pavel M. ; Komarov, Pavel V.Soft matter, 2022-10, Vol.18 (39), p.7524-7536 [Periódico revisado por pares]Cambridge: Royal Society of ChemistryTexto completo disponível |
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Material Type: Artigo
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Microphase separation in helix-coil block copolymer melts: computer simulationGlagolev, M. K ; Glagoleva, A. A ; Vasilevskaya, V. VSoft matter, 2021-09, Vol.17 (36), p.8331-8342 [Periódico revisado por pares]Cambridge: Royal Society of ChemistryTexto completo disponível |
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Material Type: Artigo
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Estimation of the structure of binary Ag–Cu nanoparticles during their crystallization by computer simulationGafner, Yury ; Gafner, Svetlana ; Redel, Larisa ; Poletaev, GennadyJournal of nanoparticle research : an interdisciplinary forum for nanoscale science and technology, 2023-10, Vol.25 (10), p.205, Article 205Dordrecht: Springer NetherlandsTexto completo disponível |
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Material Type: Artigo
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Kinetics and morphologies in polymerization‐induced cooperative assembly: a computer simulation investigationLu, Hui ; Song, Wen‐Yuan ; Zou, Ying‐Yi ; Xu, Wei‐Shao ; Yan, Yu‐Dou ; Liu, Hong ; Ma, Li‐JunPolymer international, 2022-04, Vol.71 (4), p.359-365 [Periódico revisado por pares]Chichester, UK: John Wiley & Sons, LtdTexto completo disponível |
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Material Type: Artigo
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Local pH and effective pKA of weak polyelectrolytes - insights from computer simulationsNova, Lucie ; Uhlik, Filip ; Kosovan, PeterPhysical chemistry chemical physics : PCCP, 2017-06, Vol.19 (22), p.14376-14387 [Periódico revisado por pares]Texto completo disponível |
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Material Type: Artigo
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Computer simulations of 4240 MOF membranes for H2/CH4 separations: insights into structure–performance relationsAltintas, Cigdem ; Avci, Gokay ; Daglar, Hilal ; Gulcay-Ozcan, Ezgi ; Erucar, Ilknur ; Keskin, SedaJournal of materials chemistry. A, Materials for energy and sustainability, 2018-04, Vol.6 (14), p.5836-5847 [Periódico revisado por pares]Cambridge: Royal Society of ChemistryTexto completo disponível |
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Material Type: Artigo
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On the dual behaviour of water in octanol-rich aqueous n -octanol mixtures: an X-ray scattering and computer simulation studyPožar, Martina ; Bolle, Jennifer ; Dogan-Surmeier, Susanne ; Schneider, Eric ; Paulus, Michael ; Sternemann, Christian ; Perera, AurélienPhysical chemistry chemical physics : PCCP, 2024-01, Vol.26 (5), p.4099-4110 [Periódico revisado por pares]England: Royal Society of ChemistryTexto completo disponível |
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Material Type: Artigo
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Synthesis of Polymer Single‐Chain Nanoparticle with High Compactness in Cosolvent Condition: A Computer Simulation StudyZhang, Yue‐Yuan ; Jia, Xiang‐Meng ; Shi, Rui ; Li, Shu‐Jia ; Zhao, Huanyu ; Qian, Hu‐Jun ; Lu, Zhong‐YuanMacromolecular rapid communications., 2020-12, Vol.41 (24), p.e1900655-n/a [Periódico revisado por pares]Germany: Wiley Subscription Services, IncTexto completo disponível |
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Material Type: Artigo
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Two statins and cromolyn as possible drugs against the cytotoxicity of Aβ(31-35) and Aβ(25-35) peptides: a comparative study by advanced computer simulation methodsBlomgren, Fredrik ; Rodin, Alexander ; Chrobak, Wojciech ; Pacut, Dawid Wojciech ; Swenson, Jan ; Ermilova, InnaRSC advances, 2022-04, Vol.12 (21), p.13352-13366 [Periódico revisado por pares]England: Royal Society of ChemistryTexto completo disponível |