针对原子轨道对称性匹配原则的分层次教学研究
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陈广慧, 杜信明, 林旺强, 马荔, 姜昆
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Study of Multi-Level Teaching on the Principle of Symmetry-Adapted Atomic Orbitals
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Guanghui Chen, Xinming Du, Wangqiang Lin, Li Ma, Kun Jiang
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表4 硫化氢分子外层分子轨道系数
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| 原子轨道编号 | 原子 | 原子轨道 | 分子轨道系数a | [6]
(A1)–O
?0.897 | [7]
(B2)–O
?0.543 | [8]
(A1)–O
?0.362 | [9]
(B1)–O
?0.274 | [10]
(A1)–V
0.488 | [11]
(B2)–V
0.547 | | 1 | 1-S | 1s | 0.083 | 0.000 | 0.042 | 0.000 | ?0.045 | 0.000 | | 2 | 1-S | 2s | ?0.284 | 0.000 | ?0.132 | 0.000 | 0.127 | 0.000 | | 3 | 1-S | 2px | 0.000 | 0.000 | 0.000 | ?0.314 | 0.000 | 0.000 | | 4 | 1-S | 2py | 0.000 | ?0.192 | 0.000 | 0.000 | 0.000 | ?0.292 | | 5 | 1-S | 2pz | 0.048 | 0.000 | ?0.238 | 0.000 | ?0.228 | 0.000 | | 6 | 1-S | 3s | 0.793 | 0.000 | 0.596 | 0.000 | ?0.821 | 0.000 | | 7 | 1-S | 3px | 0.000 | 0.000 | 0.000 | 1.034 | 0.000 | 0.000 | | 8 | 1-S | 3py | 0.000 | 0.518 | 0.000 | 0.000 | 0.000 | 1.124 | | 9 | 1-S | 3pz | ?0.118 | 0.000 | 0.729 | 0.000 | 0.873 | 0.000 | | 10 | 2-H | 1s | 0.215 | 0.470 | ?0.332 | 0.000 | 0.814 | ?0.756 | | 11 | 3-H | 1s | 0.215 | ?0.470 | ?0.332 | 0.000 | 0.814 | 0.756 |
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