進度報告
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進度報告. 2005/10/26. 惰性原子和第二週期元素鍵結之比較. 一 . HNgX : X = ( CN, NC, HBN, OBO ) 二 . YNgF : Y = ( OB, HNB, H ). HNgX 在 MP2/aug-cc-pVTZ 方法下所求之鍵長比較. YNgF 在 MP2/aug-cc-pVTZ 方法下所求之鍵長比較. HHeX 之相對能量比較. HArX 之相對能量比較. HKrX 之相對能量比較. YHeF 之相對能量比較. YArF 之相對能量比較. YKrF 之相對能量比較.

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進度報告

2005/10/26


惰性原子和第二週期元素鍵結之比較

  • 一. HNgX :

    X = ( CN, NC, HBN, OBO )

  • 二. YNgF:

    Y = ( OB, HNB, H )


Hngx mp2 aug cc pvtz
HNgX在MP2/aug-cc-pVTZ方法下所求之鍵長比較


Yngf mp2 aug cc pvtz
YNgF在MP2/aug-cc-pVTZ方法下所求之鍵長比較


HHeX之相對能量比較


HArX之相對能量比較


HKrX之相對能量比較


YHeF之相對能量比較


YArF之相對能量比較


YKrF之相對能量比較


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