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Get PDF利用振动SCfCI方法研究了n2O体系的同位素取代物15n14n16O,14n15n16O,15n216O和15n218O的势能面及其振动光谱.结果表明,具有相同端原子的体系的势能参数值比较接近,不同端原子的同位素取代对体系势能面的影响较显著,但通过优化少数几个对同位素取代敏感的势能参数(这里是f(1)1,f(0)13,f(1)3)就可以使优化后的势能面能很好的再现实验振动能级国家自然科学基金资助项目!(批准号:29673029
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