ab initio quantum chemistry methodsの例文
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- All required reactions are analyzed using standard ab initio quantum chemistry methods.
- This led to the development of many ab initio quantum chemistry methods.
- The p contribution " m " is estimated from ab initio quantum chemistry methods and a natural bond orbital ( NBO ) analysis.
- 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.
- 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.