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Calculation of electric-field gradients based on higher-order generalized Douglas–Kroll transformations
Neese, Frank, Wolf, Alexander, Fleig, Timo, Reiher, Markus, Hess, Bernd ArturVolume:
122
Year:
2005
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.1904589
File:
PDF, 296 KB
english, 2005