ab initio quantum chemistry methodsの例文

例文

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  1. All required reactions are analyzed using standard ab initio quantum chemistry methods.
  2. This led to the development of many ab initio quantum chemistry methods.
  3. The p contribution " m " is estimated from ab initio quantum chemistry methods and a natural bond orbital ( NBO ) analysis.
  4. Standard ab initio quantum chemistry methods lead to delocalized orbitals that, in general, extend over an entire molecule and have the symmetry of the molecule.
  5. The Pople Diagram can be either 2-dimension or 3-dimensional, with the axes representing Ab initio quantum chemistry methods, Basis sets used in computational chemistry and treatment of relativity.

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