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author:

He, Q (He, Q.) [1] | Zhou, LX (Zhou, LX.) [2] | Zhang, ZQ (Zhang, ZQ.) [3]

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Scopus SCIE

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.

Keyword:

ab initio calculation adenine protonation Pt(II)/Pd(II)/Ni(II)

Community:

  • [ 1 ] Jinan Univ, Dept Chem, Guangzhou 510632, Guangdong, Peoples R China
  • [ 2 ] Fuzhou Univ, Dept Chem, Fujian 350002, Peoples R China

Reprint 's Address:

  • 和芹

    [He, Q]Jinan Univ, Dept Chem, Guangzhou 510632, Guangdong, Peoples R China

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Source :

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

Cited Count:

WoS CC Cited Count:

SCOPUS Cited Count:

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 0

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