MURAL - Maynooth University Research Archive Library



    Items where Author is "Salahub, Dennis R."


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    2003

    Fadda, Elisa and 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 and 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 and 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

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