Browsing by Author Lopez, Philip

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Issue DateTitleAuthor(s)Citation
2007Application of the computationally efficient self-consistent-charge density-functional tight-binding method to magnesium-containing moleculesCai, Zhengli; Lopez, Philip; Reimers, Jeffrey; Cui, Qiang; Elstner, Marcus; Chemistry; Chemistry; ChemistryApplication of the computationally efficient self-consistent-charge density-functional tight-binding method to magnesium-containing molecules, The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, vol.111,(27),2007,pp 5743-5750