Photoselected fluorescence detected circular dichroism
Photoselected fluorescence detected circular dichroism
复制标题
光选荧光检测圆二色性
DOI：
10.1021/ja00502a048
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发表时间：
1979
影响因子：
15
通讯作者：
D. Turner
中科院分区：
文献类型：
--
作者：
E. W. Lobenstine;D. Turner
印第安纳大学交换，印第安纳州布鲁明顿(5)穆尔肯，R.SJ化学。太棒了。1962、36、3428年。总体分析依赖于基集。然而，只要基组保持不变，几何结构也保持不变，从布居分析得到的电荷移动应该接近真实值。我们正在研究从波函数导出的电子密度图直接获得电荷移位的问题。
Exchange, University of Indiana, Bloomington, Ind.(5) Mulllken, R. SJ Chem. Phys. 1962, 36, 3428. The population analysis is basis set dependent. However, as long as the basis set is kept constant, and the geometry is also constant, the charge shifts obtained from the population analysis should be close to the true values. We are studying the problem of obtaining the charge shifts directly from electron density maps derived from the wave functions.