Enthalpy Change Calculation Service
Enthalpy
In thermodynamics, enthalpy is used to characterize the state parameter of the system. When the state of a system does not change, the system has a unique enthalpy value represented by the letter H, which is defined as:
H = U + pV
Where U is the total internal energy of the system, p is the pressure of the system, and V is the volume of the system.
Enthalpy change
When the system changes from one state to another, the enthalpy will correspondingly change from H (initial) to H (final). The change in enthalpy value is called enthalpy change. The letter ΔH means:
ΔH = H(final) – H(initial)
Overall solutions
The process of calculating system reaction enthalpy change:
- Optimize molecular structure and perform frequency calculation at the same time
- On the basis of the optimized structure, a larger basis set is used for single point energy calculation (we use the structure obtained in the first step optimization as the initial structure. The single point energy of the two conformations is calculated under the larger basis set.)
- Calculate the standard molar reaction enthalpy change
CD ComputaBio can provide you with the following services：
- Calculation of Standard Molar Enthalpy of Formation
- Calculate the standard molar reaction enthalpy for conformational transformation
- Calculate the standard molar reaction enthalpy change
Our services
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Project name |
Enthalpy Change Calculation Service |
| Samples requirement |
Our enthalpy change calculation service requires you to provide specific requirements. |
| Cycle |
Decide according to your needs. |
| Deliverables |
We provide you with raw data and analysis service. |
| Price |
Inquiry |
CD ComputaBio can offer you but not limited to:
CD ComputaBio' enthalpy change calculation service can reduce the cost of later experimental screening. Enthalpy change calculation 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.
* For Research Use Only.
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