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• W2083766707 startingPage "6468" @default.
• W2083766707 abstract "According to reliable density functional theory (DFT) calculations, 11,12-dimethyl-11,12-diazatetracyclo[6.2.1.13,6.02,7]dodecane derivatives have been predicted as superorganic bases in the gas phase, acetonitrile, and the aqueous phase. The basicities of these tetracyclic proton sponges were modulated through remote substituent effects. Barriers for proton transfer between the N atoms of the diamine cations are also reported." @default.
• W2083766707 created "2016-06-24" @default.
• W2083766707 creator A5018868874 @default.
• W2083766707 creator A5088826798 @default.
• W2083766707 date "2007-06-20" @default.
• W2083766707 modified "2023-10-14" @default.
• W2083766707 title "Rational Design and First-Principles Studies toward the Remote Substituent Effects on a Novel Tetracyclic Proton Sponge" @default.
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• W2083766707 doi "https://doi.org/10.1021/jp0732357" @default.
• W2083766707 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/17580841" @default.
• W2083766707 hasPublicationYear "2007" @default.
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