Subject: density functional calculations | alkali metal cation affinities | proton affinities | bond theory | Full Paper | Full Papers | methyl cation affinities | thermochemistry
Abstract We have analyzed the structure and bonding of gas‐phase Cl−X and [HCl−X]+ complexes for X+= H+, CH3 +, Li+, and Na+, using relativistic density functional theory (DFT). We wish to establish a quantitative trend in affinities of the anionic and neutral Lewis bas... View more
4b C.Hsiao, E.Tannenbaum, H.Van Deusen, E.Hershkovitz, G.Perng, A. R.Tannenbaum, L. D.Williams in “Complexes of Nucleic Acids with Group I and II Cations” in Nucleic Acid Metal Ion Interactions (Ed.: N. V. Hud), The Royal Society of Chemistry, London
2008, pp. 1–35.