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"calculated with b3lyp" vs "calculated by b3lyp"

Both phrases are commonly used in the context of computational chemistry to indicate the method used for calculations. 'Calculated by B3LYP' and 'calculated with B3LYP' are both correct and interchangeable.

Last Updated: March 26, 2024

calculated with b3lyp

This phrase is correct and commonly used in the context of computational chemistry to indicate that the calculations were performed using the B3LYP method.

This phrase is used to specify that the calculations were carried out using the B3LYP method in computational chemistry.

Examples:

  • The properties were calculated with B3LYP.
  • The electronic structure was calculated with B3LYP.

Alternatives:

  • calculated by B3LYP
  • computed using B3LYP
  • determined by B3LYP
  • evaluated with B3LYP
  • obtained through B3LYP

calculated by b3lyp

This phrase is correct and commonly used in the context of computational chemistry to indicate that the calculations were performed using the B3LYP method.

This phrase is used to specify that the calculations were carried out using the B3LYP method in computational chemistry.

Examples:

  • The molecular structure was calculated by B3LYP.
  • The energy levels were calculated by B3LYP.

Alternatives:

  • calculated with B3LYP
  • computed using B3LYP
  • determined by B3LYP
  • evaluated with B3LYP
  • obtained through B3LYP

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