… To calculate the proton affinity and molecular basicities in the solvent (water in our case), the
… In order to calculate the molecular basicity in solution, the constant pK b (B) for a base B is …

… in providing these compounds with such high basicity constants, one being the steric strain
… shows a stronger basicity than 1. Thus, the high basicity of these molecules seems to be …

… This prompted us to investigate the gas-phase basicity of the next member of the series, …
this molecule, we have considered it of interest to investigate not only its intrinsic basicity but …

… We report herein ab initio calculations of the molecular … π systems as an electron donor in
this study. Benzene (π H ) and … molecular interaction. Recently, we have reported remarkable …

… stable; the basicity of tBu 4 THD represents a record value. The experimental value for the
gas-phase basicity of tBu 4 THD is close to the calculated GB of the parent molecule, THD. In …

… is – 50 kJ/mol which is smaller than those for all molecules studied in this work except DTBP.
Therefore, although steric hindrance may influence the hydration enthalpy, basicity has a …

… in the molecule and this will make the analysis of the basicity trends … comparison between
the basicity toward ICl and I 2 . … quantitative determination of basicity of aliphatic ketones and N-…

… The properties of molecules considered in this study are … this study is not reproduction of
the experimental proton affinities but rather an analysis of the major factors determining basicity. …

… In this work, we make sure of these quantities in our effort to evaluate molecular basicity
for three categories of amines, primary, secondary and tertiary. Since these quantities are all …

… [b] The basicity of 1 was determined experimentally [25] and … We now have available a
series of experimental and theoretical … with other molecules or with the walls of the instrument. …