MURAL - Maynooth University Research Archive Library



    Items where Author is "Casida, Mark E."


    [up] Up a level
    Group by: Item Type | Date | No Grouping
    Jump to: Article
    Number of items: 3.

    Article

    Fadda, Elisa, Casida, Mark E. and Salahub, Dennis R. (2003) 14,15N NMR Shielding Constants from Density Functional Theory. Journal of Physical Chemistry A, 107 (46). pp. 9924-9930. ISSN 1089-5639

    Fadda, Elisa, Casida, Mark E. and Salahub, Dennis R. (2003) NMR shieldings from sum-over-states density-functional-perturbation theory: Further testing of the ‘‘Loc.3’’ approximation. Journal of Chemical Physics, 118 (15). pp. 6758-6768. ISSN 0021-9606

    Fadda, Elisa, Casida, Mark E. and Salahub, Dennis R. (2003) Time-Dependent Density Functional Theory as a Foundation for a Firmer Understanding of Sum-Over-States Density Functional Perturbation Theory: “Loc.3” Approximation. International Journal of Quantum Chemistry, 91 (2). pp. 67-83. ISSN 0020-7608

    This list was generated on Mon Dec 23 01:40:19 2024 UTC.
    MURAL - Maynooth University Research Archive Library is powered by EPrints 3.4 which is developed by the School of Electronics and Computer Science at the University of Southampton. About EPrints | Accessibility