Automated all-functionals infrared and Raman spectra

Infrared and Raman spectroscopies are ubiquitous techniques employed in many experimental laboratories, thanks to their fast and non-destructive nature able to capture...红外光谱（Infrared spectroscopy）与拉曼光谱（Raman spectroscopy）均为各类实验实验室中广泛应用的分析技术，因其具备快速且无损的特性，能够捕获……