POST-ADF Property and utility programs
NMR chemical shifts and spin-spin coupling constants
HBr: NMR Chemical Shifts
HgMeBr: NMR Chemical Shifts
CH
4
: NMR Chemical Shifts, SAOP potential
CO: NMR Chemical Shifts, SIC-VWN potential
PF
3
: NMR Properties, Nucleus-independent chemical shifts
PF
3
: Comparison of NMR with EPR/NMR
VOCl3: NMR Properties
C2H2: Nuclear Spin-spin coupling constants
ESR / EPR properties
TiF
3
: ESR Properties
VO: collinear approximation
Ge+ and H2+: EPR spectrum
Analytic second derivatives
CN: Analytic second derivatives
CH4: Analytic second derivatives
HI: ZORA Analytic second derivatives
Post-ADF analysis utilities
NO
2
: Contour Plots using
Densf
and
Cntrs
C
2
H
2
: Localization of Molecular Orbitals
Cu
4
CO: Density of States
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