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Title:           Modeling Nazarov cyclization inside a [Si4L6]8− nanocage: effects of charge and size
Subject:         Journal of Catalysis, 459 (2026) 116934. doi:10.1016/j.jcat.2026.116934
Keywords:        Density functional theory,Host–guest complex,Molecular dynamics,Nazarov cyclization,Supramolecular catalysis
Author:          Gantulga Norjmaa
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      Title: Modeling Nazarov cyclization inside a [Si4L6]8− nanocage: effects of charge and size
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        Title: 1 Introduction
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        Title: 2 Computational details
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          Title: 3.1 Reaction in solution
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          Title: 3.2 Reaction within Si-cage
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          Title: 3.3 Binding and protonation within Si-cage
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          Title: 3.4 Water loss and cyclization within Si-cage
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          Title: 3.5 Comparison between Si-cage and Ga-cage
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        Title: Data availability
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        Title: References
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    Keywords: Density functional theory,Host guest complex,Molecular dynamics,Nazarov cyclization,Supramolecular catalysis
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   Type: CRC32
  Checksum: 0b6c0f6678b9f8721ecef34811703af6
   Type: MD5
  Checksum: b624282a43b942b9a3f3165e6f550b63ccd189f2
   Type: SHA-1
  Checksum: 569e3275456d8f436f10dd3458067ac71f90c4fbb430936cbce771f2449866bf
   Type: SHA-256