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SpectraMatcher: A Python Program for Interactive Analysis and Peak Assignment of Vibronic Spectra
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DOI：10.1016/j.cpc.2025.109945.png)
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摘要
En 中文
• 基于GUI的工具，用于匹配实验和计算得到的振子光谱
• 解析Gaussian计算得到的弗兰克-康登/赫兹伯格-泰勒跃迁
• 实时交互式光谱卷积和对齐
• 通过模式特定的振动频率标度因子应用非谐性校正
• 自动分配实验和模拟振子光谱的峰
Keyword:
vibronic spectroscopy
peak matching
anharmonic correction
vibrational frequency scale factors
convolution
spectrum analysis
fluorescence
期刊
IF:
3.4
论文数:
1.2W
被引数:
3.7W
机构
暂无机构信息
引用论文
Fluorescence Excitation and Dispersed Fluorescence Spectra of the First Electronic Excited (S1) State of peri-Hexabenzocoronene (C42H18) Isolated in Solid para-Hydrogen固相正氢中隔离的peri-六苯并冠烯（C42H18）的第一电子激发态（S1）的荧光激发和分散荧光光谱
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