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Analytical gradients nuclear spin

Helgaker, T., Watson, M., Handy, N. C., 2000, Analytical Calculation of Nuclear Magnetic Resonance Indirect Spin-Spin Coupling Constants at the Generalized Gradient Aproximation and Hybrid Levels of Density Functional Theory , J. Chem. Phys., 113, 9402. [Pg.290]

T. Helgaker, M. Watson, N. Handy, Analytical calculation of nuclear magnetic resonance indirect spin-spin coupling constants at the generalized gradient approximation and hybrid levels of density-functional theory, J. Chem. Phys. 113 (2002) 9402-9409. [Pg.284]

See other pages where Analytical gradients nuclear spin is mentioned: [Pg.107]    [Pg.300]    [Pg.105]    [Pg.394]    [Pg.131]    [Pg.166]    [Pg.166]    [Pg.408]    [Pg.2]    [Pg.57]    [Pg.241]    [Pg.5]    [Pg.166]    [Pg.502]   
See also in sourсe #XX -- [ Pg.281 ]



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