Vibrational frequencies and stark tuning rate with continuum electro-chemical models and grand canonical density functional theory

This archive provides the AiiDA workflows, metadata, and computational datasets associated with the study of vibrational frequencies and Stark tuning rates at electrochemical interfaces within the fra

DataCite Commons2026-03-20 更新10

Simulation data of the relationship between tuning fork size and vibration frequency

This data provides the simulation data of the relationship between the geometric dimensions of the quartz tuning fork and its resonance frequency, which can provide a reference for the design of the q

DataCite Commons2025-02-02 更新30

Vibrational Stark Spectroscopy of CXF-D

The vibrational Stark spectra and the data fitting of the C=O and C-D of N-[formyl-d]-Cyclohexylformamide.

DataCite Commons2022-02-28 更新80

Vibrational frequencies and stark tuning rate with continuum electro-chemical...