full2010.pdf - page 1387

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‡Îµœª– ¦³®ªnµŠ ONIOM(HF/6-31G(d,p):UFF) ¨³ ONIOM(B3LYP/6-31G(d,p):UFF) ¡ªnµ„µ¦‡Î µœª–ץčo
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„µ¦—¼—Ž´Ášnµ„´ -13.37 „·Ã¨Â‡¨°¦¸ ˜n°Ã¤¨ ¨³ ONIOM(B3LYP/6-31G(d,p):UFF) ŗo¡¨´ŠŠµœ„µ¦—¼ —Ž´ -13.17
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čo ONIOM(HF/6-31G(d,p):UFF) Ĝ„¦–¸š¸É ¸—‡ªµ¤µ¤µ¦™ °Š‡°¤¡· ªÁ˜°¦r¤¸œo°¥ °¥nµŠÅ¦„Șµ¤¦³Á¸¥ª· ›¸ „µ¦
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