NMR: chemical shift
The NMR program was originally written by G.Schreckenbach and later adapted and extended by S.K. Wolff.
IntroductionBug fix off-diagonal part shielding tensor
Input options
OUT
CALC
U1K
NUC
ATOMS
GHOSTS
ANALYSIS
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NMR: chemical shiftThe NMR program was originally written by G.Schreckenbach and later adapted and extended by S.K. Wolff. IntroductionBug fix off-diagonal part shielding tensor Input options OUT CALC U1K NUC ATOMS GHOSTS ANALYSIS
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