SFB 1176 • Molekulare Strukturierung weicher Materie

Calculation of Magnetic Shielding Constants with meta-GGA Functionals Employing the Multipole-Accelerated Resolution of the Identity: Implementation and Assessment of Accuracy and Efficiency

  • Author:

    Reiter, K; Mack, F.; Weigend, F. 

  • Source:

    J. Chem. Theory Comput. 2018, 14, 191-197.