It is believed that guanine, a basic component of DNA and RNA, has the smallest affinity to an excess electron among all nucleic acid bases. Our experimental and computational findings indicate, however, that many so far neglected tautomers of guanine support adiabatically bound anionic states in the gas phase. The computed values of electron vertical detachment energy for the most stable anion...

In this paper, we report the stability of the Li(HF) 3 molecular anion calculated at the MP2/631++G** and CCSD(T)/6-31++G** level of theory. Five possible conformers of Li(HF) 3 molecular anions have been determined employing ab initio MP2 method with 6-31++G** basis set. The most stable conformer of five Li(HF) 3 anions is in a cyclic ring structure Li(HF) 3 (1). From our calculations we show ...

Experiments were carried out using a flowing-afterglow Langmuir-probe apparatus to measure rate constants for electron attachment to SF6 and thermal detachment from SF6'. In a recent series of papers, these results were combined with new and existing data on nondissociative and dissociative attachment to SF6 and compared to statistical modeling of the various processes involved in the stabiliza...

The staining affinity of electron dense stains to mouse palatal elastic fibers and periodontal oxytalan fibers was assessed and compared. Tissues were stained routinely with uranyl acetate and lead citrate or with elastic tissue stains including: (1) silver tetraphenylporphine sulfonate, (2) tannic acid technique, and (3) a high iron diamine sequence. Staining results were assessed with an elec...

Ž . Wide bandgap semiconductors such as diamond and the III–V nitrides GaN, AlN, and AlGaN alloys exhibit small or even negative electron affinities. Results have shown that different surface treatments will modify the electron affinity of Ž . diamond to cause a positive or negative electron affinity NEA . This study describes the characterization of these surfaces Ž . with photo-electron emiss...

In the present work, we have computed the energy and hardness profiles for a series of inter and intramolecular conformational changes at several levels of calculation. All processes studied have in common the fact that the choice of a weak methodology or a poor basis set results in the presence of spurious stationary points in the energy profile. At variance with the energy profiles, the hardn...

the present study is to study linear free energy relationships (lfers) for dechlorination ratesin cement/fe(ii) slurries of eight chlorinated hydrocarbons including carbon tetrachloride, chloroform produced from carbon tetrachloride, 1,1,1-trichloroethane, trichloroethylene produced from 1,1,2,2-tetrachloroethane, tetrachloroethylene, trichloroethylene, 1,1-dichloroethylene, and vinyl chloride,...