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本文对4,5-二羟基-1,2-苯醌和2,5-二羟基-1,4-苯醌的振动基频进行了量化计算和实验测定,应用Gaussian94和MOPAC计算相结合的方法,取长补短,归属了其振动光谱,并对两者的差异做了讨论。
酚醌类化合物振动基频的计算,归属和讨论
【摘 要】
：
本文对4,5-二羟基-1,2-苯醌和2,5-二羟基-1,4-苯醌的振动基频进行了量化计算和实验测定,应用Gaussian94和MOPAC计算相结合的方法,取长补短,归属了其振动光谱,并对两者的差异
【机 构】
：
福州大学化学系,福州,350002
【出 处】
：
第十一届全国分子光谱学学术会议
【发表日期】
：
2000年8期
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