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Abstract:
The influence of a series of square planar metal adducts on the protonation ability of adenine has been investigated using ab initio calculation. The results showed that the protonation ability was mainly influenced by the long-range electrostatic effect in gas phase, no strong influence of different metals has been detected for the system studied, and the solvent effect calculations showed that the polar solvent could efficiently compensate for the long-range electrostatic effect dominant in gas phase. The NBO population analysis indicated that the protonation ability was mainly affected by changes of the electron density on selected atoms.
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CHINESE JOURNAL OF CHEMISTRY
ISSN: 1001-604X
CN: 31-1547/O6
Year: 2005
Issue: 10
Volume: 23
Page: 1355-1360
0 . 8 1 9
JCR@2005
5 . 5 0 0
JCR@2023
ESI Discipline: CHEMISTRY;
JCR Journal Grade:3
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SCOPUS Cited Count:
ESI Highly Cited Papers on the List: 0 Unfold All
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30 Days PV: 0
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