Electric Field Gradients Calculated from Two-Component Hybrid Density Functional Theory Including Spin−Orbit Coupling
Aquino, Fredy, Govind, Niranjan, Autschbach, JochenVolume:
6
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct1002847
Date:
September, 2010
File:
PDF, 2.95 MB
english, 2010