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Analytical GIAO and hybrid-basis integral derivatives: application to geometry optimization of molecules in strong magnetic fields
Tellgren, Erik I., Reine, Simen S., Helgaker, TrygveVolume:
14
Year:
2012
Language:
english
Journal:
Physical Chemistry Chemical Physics
DOI:
10.1039/c2cp40965h
File:
PDF, 2.21 MB
english, 2012