List of examples

3DRISM-Glycine [1] ESR_HfV [1] Hplus_CO_etsnocv [1]
AgI_asoexcit [1] ESR_HgF_2der [1] Hyperpol [1]
AgI_SO_Pol [1] ESR_TiF3 [1] LT_constraint [1]
AIM_HF [1] FDE_Energy_H2O-Ne_unrestricted [1] MBH_CH4 [1]
AlCl3_efgnbo [1] FDE_Energy_NH3-H2O [1] MBH_Ethanol [1]
AT_transferintegrals [1] FDE_H2O_128 [1] methane_dimer_dispersion [1]
Au2_Resp [1] FDE_HeCO2_freezeandthaw [1] MM_Dispersion [1]
Au2_ZORA [1] FDE_NMR_relax [1] ModStPot_N2+ [1]
AuH_analyse_exciso [1] Fe4S4_BrokenSymm [1] Mossbauer [1]
Bader [1] Field.PtCO [1] N2_TDHF [1]
BakersetSP [1] Frags_NiCO4 [1] Ne_CoreExci [1]
BondOrder [1] Frags_PtCl4H2 [1] Ne_exciso [1]
BSSE_CrCO6 [1] FranckCondon_NO2 [1] NH_ZFS [1]
C2H4_TDCDFT [1] Freq_NH3 [1] NMR_B3LYP [1]
CEBE_NNO [1] Freq_NH3_RAMAN [1] NMR_NICS [1]
CH3_CH3_etsnocv [1] Freq_NH3_Scan [1] NOCV_CrCO5-CH2 [1]
CH4_nmrnbo [1] Freq_UF6 [1] OH_MetaGGA [1]
CH4_SAOP [1] GO_constraints [1] PbH4_finitenuc [1]
CH4_SecDeriv [1] GO_FDE_H2O-Li [1] PCCP_Unr_BondEnergy [1]
CN_SecDeriv [1] GO_FDE_NH3-H2O [1] pdb2adf [1]
CN_unr_exci [1] GO_Formaldehyde [1] QMMM_Butane [1]
Cntrs.LocOrb_C2H2 [1] GO_H2O [1] QMMM_CYT [1]
Cntrs_NO2 [1] GO_LiF_Efield [1] QMMM_Surface [1]
CO_model [1] GO_restraint [1] SCF_Ti2O4 [1]
ConvergenceTestCH4 [1] green_Al [1] SD_CrNH3_6 [1]
CPL_C2H2 [1] green_Au [1] SiH2_spinflip [1]
CPL_CH3OH_NBO [1] green_BDT [1] SO_ZORA_Bi2 [1]
CPL_HF_hybrid [1] H2O_ADFNBO [1] Solv_HCl [1]
CuH+_S-squared [1] H2O_HF_freq [1] SUBEXCI_dimer [1]
DampedVerdet [1] H2O_magnet [1] TiCl4_CoreExci [1]
DelocalGO_aspirin [1] H2O_MCD [1] Tl_noncollinear [1]
Diimina_NOCV [1] H2O_MCD_ZFS [1] TlH_SO_analysis [1]
Disper_HF [1] H2O_TD_magnet [1] Transit_H2O [1]
DMO_CD [1] H2O_Verdet [1] TS_C2H6 [1]
DMO_ORD [1] H2PO_B3LYP [1] TS_CH4_HgCl2 [1]
DMO_ORD_aoresponse [1] HBr [1] TSRC_SN2 [1]
DOS_Cu4CO [1] HBr_SO [1] Twist_Ethene_TDDFT [1]
EDA_meta_gga_hybrid [1] HCN [1] UnrFrag_H2 [1]
Efield.PntQ_N2 [1] HCN_CINEB [1] VCD_COG_NHDT [1]
EGO_CH2_sf [1] HF_ResonanceRaman [1] Vibron_RR_uracil [1]
EGO_CH2O_trip_constr [1] HgMeBr_pnr [1] VO_collinear [1]
EGO_N2 [1] HgMeBr_psc [1] VROA [1]
EGO_N2_EIGENF [1] HgMeBr_zso [1] VROA_RESO [1]
EGO_PH2 [1] HI_EFG [1] ZORA_GO_AuH [1]
Energy_H2O [1] HI_SecDer_ZORA [1]
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