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

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SUMMARY

The discussion focuses on converting kcal/(mol-Angstrom) to eV/Angstrom, a necessary step for those working with force values in eV/Angstrom. Participants highlight the importance of using the Avogadro constant for conversions and emphasize that kcal to Joules (J) has a fixed conversion factor. The conversion process requires understanding both the energy unit conversions and the relationship between moles and Avogadro's number.

PREREQUISITES
  • Understanding of energy unit conversions, specifically kcal to Joules.
  • Familiarity with the Avogadro constant and its application in mole-based calculations.
  • Knowledge of force unit conversions, particularly between eV/Angstrom and Newtons.
  • Basic principles of thermodynamics related to energy and force.
NEXT STEPS
  • Research the conversion factors between kcal and Joules for precise calculations.
  • Learn how to apply the Avogadro constant in energy conversions.
  • Explore the relationship between force in eV/Angstrom and Newtons for practical applications.
  • Investigate additional resources on thermodynamic principles relevant to energy conversions.
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Researchers, physicists, and chemists who require precise energy conversions in their calculations, particularly those dealing with molecular forces and thermodynamic properties.

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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Did you try the Avogadro constant?
And kcal to J has a fixed conversion constant as well.
 

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