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Basis set effects on frontier molecular orbital energies and energy gaps: a comparative study between plane waves and

Myrna H Matus1, Jorge Garza, Marcelo Galván

  • 1Departamento de Química, Universidad Autónoma Metropolitana-Iztapalapa, A.P. 55-534, C.P. 09340, México D.F., México. myhm@xanum.uam.mx

The Journal of Chemical Physics
|July 23, 2004
PubMed

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