The development in computer science has brought novel technologies to be applied in the field of chemistry. The thermodynamic properties refer to the law of change between the internal energy, enthalpy, entropy, composition and other thermodynamic functions when the substance is in equilibrium.
We use Gausisan03 software package to complete all molecular orbital theory and density functional theory calculations. DFT-B3LYP/6-31G(2df,)P is used to optimize the molecular structure and calculate the vibration frequency and zero-point vibrational energy (ZP) E, low electron energy lec). The calculation is performed at the level of G3XMpZ.
|Project name||Thermodynamic Properties Analysis Service|
|Samples requirements||Our thermodynamic properties analysis service requires you to provide specific requirements.|
|Cycle||Decide according to your needs.|
|Service including||We provide you with raw data and analysis service.|
ComputaBio' thermodynamic properties analysis service can reduce the cost of later experiments. Thermodynamic properties analysis service is a personalized and customized innovative scientific research service. Before determining the corresponding analysis plan and price, each project needs to be evaluated. If you want to know more about service prices or technical details, please feel free to contact us.