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Bioinorganic Chemistry and Applications
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Bioinorganic Chemistry and Applications
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2011
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Article
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Tab 5
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Research Article
Synthesis, Characterization, Theoretical Crystal Structure, and Antibacterial Activities of Some Transition Metal Complexes of the Thiosemicarbazone (Z)-2-(pyrrolidin-2-ylidene)hydrazinecarbothioamide
Table 5
Atomic charge of the ligand.
Charges
Atoms
Charges
Atoms
Charges
Atoms
Charges
Atoms
N −0.431
[N(1)]
N 0.081
[N(6)]
H 0.068
[H(11)]
H 0.040
[H(16)]
N 0.263
[N(2)]
C 0.222
[C(7)]
H 0.101
[H(12)]
H 0.031
[H(17)]
C 0.233
[C(3)]
C
−
0.122
[C(8)]
H 0.104
[H(13)]
H 0.028
[H(18)]
S −0.696
[S(4)]
C
−
0.066
[C(9)]
H 0.091
[H(14)]
H 0.011
[H(19)]
N −0.049
[N(5)]
C 0.036
[C(10)]
H 0.038
[H(15)]
H 0.018
[H(20)]