Convert kcal/(mol-Angstrom) to eV/Angstrom: Advice Needed

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In summary, the conversation discusses the conversion factor between kcal/(mol-Angstrom) and eV/Angstrom, the reasons for converting between these units, their significance, and how to convert between them. It emphasizes the importance of seeking advice when converting units to ensure accuracy and efficiency.
  • #1
The_Engineer
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I need to convert kcal/(mol-Angstrom) to eV/Angstrom.

I have force values in eV/Angstrom, which I can easily convert to Newtons. I just can't find any conversion factor anywhere on the web for kcal/(mol-Angstrom) to Newtons or eV/Angstrom!

Any advice?
 
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  • #2
Did you try the Avogadro constant?
And kcal to J has a fixed conversion constant as well.
 

What is the conversion factor between kcal/(mol-Angstrom) and eV/Angstrom?

The conversion factor between kcal/(mol-Angstrom) and eV/Angstrom is 0.0433641 eV/Angstrom. This means that for every 1 kcal/(mol-Angstrom), there are 0.0433641 eV/Angstrom.

Why do we need to convert from kcal/(mol-Angstrom) to eV/Angstrom?

Scientists often work with different units of energy, and it can be useful to convert between them for easier comparison or calculation. In this case, converting from kcal/(mol-Angstrom) to eV/Angstrom allows us to express energy in a different unit that may be more relevant to the specific research or experiment being conducted.

What is the significance of the units "kcal/(mol-Angstrom)" and "eV/Angstrom"?

Kcal/(mol-Angstrom) is a unit of energy commonly used in chemistry to measure the potential energy of chemical bonds. It stands for kilocalories per mole per Angstrom, and is equivalent to 4.184 joules per mole per Angstrom. On the other hand, eV/Angstrom is a unit commonly used in physics to measure the energy of particles and subatomic particles. It stands for electron volts per Angstrom, and is equivalent to 1.602 x 10^-19 joules per Angstrom.

How can I convert from kcal/(mol-Angstrom) to eV/Angstrom?

To convert from kcal/(mol-Angstrom) to eV/Angstrom, you can use the conversion factor of 0.0433641 eV/Angstrom. Multiply the value in kcal/(mol-Angstrom) by this conversion factor to get the equivalent value in eV/Angstrom. For example, if you have 10 kcal/(mol-Angstrom), you can convert it to eV/Angstrom by multiplying 10 by 0.0433641, resulting in 0.433641 eV/Angstrom.

Why is it important to seek advice when converting between units?

Seeking advice when converting between units is important because it ensures accuracy and avoids errors in calculations or experiments. It is also helpful to consult with others who may have more experience or knowledge in the specific field or units being used. Additionally, seeking advice can provide alternative methods or approaches to converting units that may be more efficient or appropriate for the specific situation.

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