| /dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/basis/ |
| H A D | dzq | 7 $ YTTRIUM (8s,8p,6d,3f) -> [4s,4p,4d,3f]
8 $ YTTRIUM (8s,8p,6d,3f) -> [4s,4p,4d,3f]
|
| H A D | modified_lanl2dz | 277 $ YTTRIUM (8s,8p,4d) -> [3s,3p,2d]
278 $ YTTRIUM (8s,8p,4d) -> [3s,3p,2d]
|
| H A D | hay_wadt_mb_n1_ecp | 293 $ YTTRIUM (5s,6p,4d) -> [3s,3p,2d]
294 $ YTTRIUM (5s,6p,4d)->[3s,3p,2d]
|
| H A D | hay_wadt_vdz_n1_ecp | 294 $ YTTRIUM (5s,6p,4d) -> [3s,3p,2d]
295 $ YTTRIUM (5s,6p,4d)->[3s,3p,2d]
|
| H A D | lanl2tz | 243 $ YTTRIUM (5s,5p,4d) -> [5s,5p,3d]
244 $ YTTRIUM (5s,5p,4d) -> [5s,5p,3d]
|
| H A D | lanl08_f | 252 $ YTTRIUM (5s,5p,4d,1f)
253 $ YTTRIUM (5s,5p,4d,1f)
|
| H A D | cc_pwcvdz_pp | 84 $ YTTRIUM (9s,8p,7d,2f) -> [5s,5p,4d,2f]
85 $ YTTRIUM (9s,8p,7d,2f) -> [5s,5p,4d,2f]
|
| H A D | lanl2tz_f | 252 $ YTTRIUM (5s,5p,4d,1f) -> [5s,5p,3d,1f]
253 $ YTTRIUM (5s,5p,4d,1f) -> [5s,5p,3d,1f]
|
| H A D | cc_pwcvtz_pp | 158 $ YTTRIUM (12s,11p,10d,3f,2g) -> [7s,7p,6d,3f,2g]
159 $ YTTRIUM (12s,11p,10d,3f,2g) -> [7s,7p,6d,3f,2g]
|
| H A D | aug_cc_pvdz_pp | 308 $ YTTRIUM (9s,8p,7d,2f) -> [5s,5p,4d,2f]
309 $ YTTRIUM (8s,7p,6d,1f) -> [4s,4p,3d,1f]
310 $ YTTRIUM (1s,1p,1d,1f)
|
| H A D | lanl08 | 494 $ YTTRIUM (5s,5p,4d)
495 $ YTTRIUM (5s,5p,4d)
|
| H A D | cc_pwcvqz_pp | 226 $ YTTRIUM (16s,13p,12d,4f,3g,2h) -> [8s,8p,7d,4f,3g,2h]
227 $ YTTRIUM (16s,13p,12d,4f,3g,2h) -> [8s,8p,7d,4f,3g,2h]
|
| H A D | aug_cc_pvtz_pp | 402 $ YTTRIUM (11s,10p,9d,3f,2g) -> [6s,6p,5d,3f,2g]
403 $ YTTRIUM (10s,9p,8d,2f,1g) -> [5s,5p,4d,2f,1g]
404 $ YTTRIUM (1s,1p,1d,1f,1g)
|
| H A D | cc_pwcv5z_pp | 259 $ YTTRIUM (18s,15p,13d,5f,4g,3h,2i) -> [9s,9p,8d,5f,4g,3h,2i]
260 $ YTTRIUM (18s,15p,13d,5f,4g,3h,2i) -> [9s,9p,8d,5f,4g,3h,2i]
|
| H A D | crenbs_ecp | 174 $ YTTRIUM (3s,3p,4d) -> [1s,1p,1d]
175 $ YTTRIUM (3s,3p,4d)->[1s,1p,1d]
|
| H A D | cc_pvdz_pp | 265 $ YTTRIUM (8s,7p,6d,1f) -> [4s,4p,3d,1f]
266 $ YTTRIUM (8s,7p,6d,1f) -> [4s,4p,3d,1f]
|
| H A D | aug_cc_pvqz_pp | 648 $ YTTRIUM (15s,12p,11d,4f,3g,2h) -> [7s,7p,6d,4f,3g,2h]
649 $ YTTRIUM (14s,11p,10d,3f,2g,1h) -> [6s,6p,5d,3f,2g,1h]
650 $ YTTRIUM (1s,1p,1d,1f,1g,1h)
|
| H A D | 3-21G | 1003 $ YTTRIUM (15s,12p,6d) -> [6s,5p,3d]
1004 $ YTTRIUM (15s,12p,6d)->[6s,5p,3d]
|
| H A D | cc_pvtz_pp | 351 $ YTTRIUM (10s,9p,8d,2f,1g) -> [5s,5p,4d,2f,1g]
352 $ YTTRIUM (10s,9p,8d,2f,1g) -> [5s,5p,4d,2f,1g]
|
| H A D | lanl2dz_ecp | 682 $ YTTRIUM (5s,6p,4d) -> [3s,3p,2d]
683 $ YTTRIUM (5s,6p,4d) -> [3s,3p,2d]
|
| H A D | sbkjc_vdz_ecp | 751 $ YTTRIUM (8s,8p,5d) -> [4s,4p,3d]
752 $ YTTRIUM (8s,8p,5d)->[4s,4p,3d]
|
| H A D | aug_cc_pv5z_pp | 868 $ YTTRIUM (17s,14p,12d,5f,4g,3h,2i) -> [8s,8p,7d,5f,4g,3h,2i]
869 $ YTTRIUM (16s,13p,11d,4f,3g,2h,1i) -> [7s,7p,6d,4f,3g,2h,1i]
870 $ YTTRIUM (1s,1p,1d,1f,1g,1h,1i)
|
| /dports/science/openbabel/openbabel-3.1.1/test/pdb_ligands_sdf/ |
| H A D | 4or5_yt3.sdf | 41 YTTRIUM (III) ION
|
| H A D | 1mbx_ybt.sdf | 100 BIS-(2-HYDROXYETHYL)AMINO-TRIS(HYDROXYMETHYL)METHANE YTTRIUM
|
| /dports/games/uqm/uqm-0.8.0/src/uqm/planets/ |
| H A D | elemdata.h | 87 YTTRIUM, enumerator
|