… In studying the basicities of proton sponge compounds, we introduce here a method of …
In the present study, the orbital analysis has been made with the 6-31G* basis set to see what …

… Our results show that acetamidine is still a strong base in condensed media since its basicity
(in ΔG) is 12 kcal/mol higher than that of ammonia. It must be noted that this is equivalent to …

… However, our calculations show that even much stronger basicity is expected for the hypothetic
derivative of H 3 P NH where all of the hydrogen atoms of the H 3 P= group are replaced …

… Although high-level theoretical calculations (G2) … strong carbon acid),17 no experimental
data on the basicity of tetrahedranes existed. Two properties of tBu 4 THD relevant for this study …

… This π donor effect of the strong π acceptor groups is manifest only in the basicities of …
groups in the basicities of the pyridines is due to (i) the presence of a strong cationic charge …

… stronger neutral bases. In this article, the reasons for the instability of very basic compounds
are investigated by means of high-level quantum-chemical calculations. Theoretical basicity …

Aqueous pKa values of strong organic bases–DBU, TBD, MTBD, different phosphazene
bases, etc–were computed with CPCM, SMD and COSMO-RS approaches. Explicit solvent …

… Other experimental and theoretical studies relevant to this study include … basicity, and by
Davis and Rabelais, who related proton affinities to ESCA binding energies using a theoretical …

… present study (see Scheme 1) have been optimized at the B3LYP/6-31G(d) level of theory
using … Because we deal only with general trends concerning intrinsic basicities, our calculated …

The gas phase acidity and basicity of 2,2,2-trifluoroethanethiol (TFET), ie, the standard Gibbs
energy changes for the following two reactions have been determined by means of Fourier …