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分子軌道法計算プログラムGaussian 03 ―その2― 和佐田 祐子 和 … · (2)分子軌道とスピン-開殻系の難しさ- 電子が二個以上存在する現実の系では,おのおのの電子が別々の分子軌道に入るように分子軌
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