"calculation" in inglés with examples - Collocation dictionary inglés
- However, molecular orbital calculations give orbitals which reflect the symmetry of the molecule.
- He was a pioneer in molecular orbital calculations on saturated hydrocarbons and on excited aromatic molecules.
- Louis Burnelle-, molecular calculations, later Professor of Chemistry, New York University.
- Donald E. Ellis ৳-, molecular calculations, later Professor of Physics and Astronomy at Northwestern University, "real" materials.
- Donald Merrifield -, molecular calculations (methane), later President of Loyola University, Los Angeles.
- In molecular orbital calculations relating to the energy of the electron and its wave function it is also used instead of the characteristic equation.
- Becke contributed in the development of non-LCAO, grid-based numerical methodologies for molecular orbital calculations.
- In molecular calculations, however, more sophisticated functionals are needed, and a huge variety of exchange-correlation functionals have been developed for chemical applications.
- A former graduate student under Ivar Waller, Löwdin formulated in 1950 the symmetric orthogonalization scheme for molecular orbital calculations.
- This rule, which is experimentally observed and supported by molecular orbital calculations, is a useful tool in inorganic and organic chemistry.
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