نتایج جستجو برای: ionization potential
تعداد نتایج: 1101370 فیلتر نتایج به سال:
The effect of an exocyclic substituent on the ionization potential of primaquine, an important antimalarial drug, was investigated using density functional theory methods. It was found that an electron-donating group (EDG) makes the ionization potential decrease. In contrast, an electron-withdrawing group (EWG) makes the ionization potential increase. Among all the exocyclic positions, a substi...
The redox properties of DNA play an influential role in several important processes such as DNA mutation and the interaction of DNA with drugs. Structural changes in DNA nucleobases from its canonical form to its tautomeric forms can alter these properties and may lead to DNA mutation due to altered base-pairing properties. Experimental results for the standard value of DNA redox properties var...
The U+O chemi-ionization reaction has been investigated by quantum chemical methods. Potential-energy curves have been calculated for several electronic states of UO and UO(+). Comparison with the available spectroscopic and thermodynamic values for these species is reported and a mechanism for the chemi-ionization reaction U+O-->UO(+)+e(-) is proposed. The U+O and Sm+O chemi-ionization reactio...
We present calculations for the impact-parameter dependence of K-shell ionization rates in p-Cu and in p-Ag collisions at various projectile energies. We show that the effect of the attractive Coulomb potential on the Rutherford trajectory and the antibinding effect caused by the negative charge of the antiproton result in a considerable increase of the ionization probability. Total ionization ...
The radioactive element astatine exists only in trace amounts in nature. Its properties can therefore only be explored by study of the minute quantities of artificially produced isotopes or by performing theoretical calculations. One of the most important properties influencing the chemical behaviour is the energy required to remove one electron from the valence shell, referred to as the ioniza...
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