Effective Local Geometry Descriptor for Si-29 NMR Q(4) Anisotropy

Venetos, MC; Dwaraknath, S; Persson, KA

Persson, KA (corresponding author), Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.; Persson, KA (corresponding author), Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.

JOURNAL OF PHYSICAL CHEMISTRY C, 2021; 125 (35): 19481

Abstract

The nuclear shielding anisotropy, zeta, is a useful nuclear magnetic resonance (NMR) shielding tensor parameter in describing the extent of electron c......

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