I'm currently working on calculating the collision cross section (CCS) for various ions, and I'm facing challenges when dealing with sodiated and multiply charged ions.

Most of the resources I’ve found focus on protonated or deprotonated forms, but I need to calculate CCS for:

  • Sodiated Ions: What adjustments or considerations are necessary to accurately calculate CCS for sodiated ions?
  • Multiply Charged Ions: What are the best practices or computational methods for handling the complexities of CCS calculations in multiply charged ions?
  • I would greatly appreciate any advice, recommended tools, or literature that could guide me in this process.

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