Molecular Spectroscopy: Absorption and Emission
¹H NMR: Interpreting Distorted and Overlapping Signals
IR Spectroscopy: Hooke's Law Approximation of Molecular Vibration
Atomic Spectroscopy: Absorption, Emission, and Fluorescence
UV–Vis Spectroscopy: Molecular Electronic Transitions
Interpreting ¹H NMR Signal Splitting: The (n + 1) Rule
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Wei Liu1,2, Rui-Hao Bi1,2, Chongxiao Zhao1,2
1Department of Chemistry, School of Science and Research Center for Industries of the Future, Westlake University, Hangzhou, Zhejiang 310030, China.
我们开发了核心多项式神经量子状态 (KPNQS) 来预测量子系统的光学吸收光谱. 这种方法有效地计算光谱属性,而不需要明确的兴奋状态计算.
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