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）是诸多实验实验室中广泛应用的技术，得益于其快速且无损的特性，能够捕获……