PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
lanthanum, atom
6365 Lanthanum, atom
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Species
Formula
6355
Barium sulfide (Geo)
SBa
6356
Barium monochloride
ClBa
6357
Barium dichloride (Geo)
Cl2Ba
6358
Barium dichloride
Cl2Ba
6359
Barium dibromide (Geo)
Br2Ba
6360
Barium dibromide
Br2Ba
6361
Barium monoiodide
IBa
6362
Barium diiodide (Geo)
I2Ba
6363
Barium diiodide
I2Ba
6364
Lanthanum, cation
La
6365
Lanthanum, atom
La
6366
Trimethyl lanthanum (Geo)
C3H9La
6367
Trimethyl lanthanum
C3H9La
6368
Tricyclopentadienyl lanthanum(III)
C15H15La
6369
Lanthanum(II) tetracyanide 2E
C4N4La
6370
La(II)(NH3)6
H18N6La
6371
La(II)(NH3)6 (Geo)
H18N6La
6372
Lanthanum complex, CCDC: XONXUT (Geo)
C45H33N9La
6373
Lanthanum complex, CCDC: ZAZQAS (Geo)
C76H44N12La
6374
Lanthanum complex, CCDC: ZEHTUB (Geo)
C64H32N16La
6375
Lanthanum complex, CCDC: TUPWEG (Geo)
C72H40N16La
Δ
H
f
:
104.5 kcal/mol,
REF:
"CRC Handbook of Chemistry and Physics," 60th Edition, R. C. Weast, (Ed.), CRC Press, Boca Raton, FL, 1980.
OPEN(3,9) MECI PM7 Lanthanum, atom HR=CRC H=104.5 La 0.00000000 +0 0.00000000 +0 0.00000000 +0