研究文章
合成和抗氧化活动小说5-Chlorocurcumin,辅以半经验的计算
表1
马利肯5-chlorocurcumin收费用AM1、量子化学和MNDO方法。
|
| 原子 |
AM1 /费用 |
量子化学/费用 |
MNDO /费用 |
|
| C (1) |
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| C (2) |
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| C (3) |
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| C (4) |
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| C (5) |
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| C (6) |
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| C (7) |
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| C (8) |
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| C (9) |
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| C (10) |
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| C (11) |
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| C (12) |
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| C (13) |
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| C (14) |
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| C (15) |
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| C (16) |
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| C (17) |
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| C (18) |
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| C (19) |
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| O (20) |
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| O (21) |
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| Cl (22) |
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| O (23) |
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| O (24) |
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| C (25) |
|
|
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| O (26) |
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| C (27) |
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| H (28) |
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| H (29) |
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| H (30) |
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| H (31) |
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| H (32) |
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| H (33) |
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| H (34) |
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| H (35) |
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| H (36) |
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| H (37) |
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| H (38) |
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| H (39) |
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| H (40) |
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| H (41) |
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| H (42) |
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| H (43) |
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| H (44) |
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| H (45) |
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| H (46) |
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