UV Spectrum Prediction Service

Determining the molecular structure of organic compounds is very important for understanding the material world at the molecular level and promoting the development of modern organic chemistry. Modern instrumental analysis can quickly and accurately determine the molecular structure of organic compounds. The most used methods are the four major spectroscopic methods: ultraviolet spectroscopy, infrared spectroscopy, nuclear magnetic resonance and mass spectrometry. Ultraviolet and visible spectrum (ultraviolet and visible spectrum) is abbreviated as UV.

• Among the many quantum chemistry software, the practical and efficient Gaussian software is the most authoritative and widely used.
• Quantum chemistry software calculations are usually performed by ab initio, density functional theory (DFT) and semi-empirical quantum mechanics methods.
• UV spectroscopy is mainly used for qualitative and quantitative determination of inorganic and organic substances, identification of conjugated chromophores of organic compounds, composition analysis, determination of equilibrium constant, determination of tautomers, determination of hydrogen bond strength, etc. It is a powerful analysis and testing methods.
• Ultraviolet spectroscopy is fast and convenient, and the obtained ultraviolet spectrum is simple, with few interference peaks and easy to identify. CD ComputaBio can provide quantum chemistry methods to achieve the prediction of dominant wavelength to a certain extent.