April 5 , 1963
AUREOMYCIN (CHLORTETRACYCLINE) HYDROCHLORIDE
85 1
(Hij) to overlap, and hence are largely cancelled TABLE XI1 PARTIAL COMPOSITIOX OF T w o HIGHESTOCCUPIED MOLECULAR by electron-nuclear attractions. The resulting bonding energy is, in fact, too large by about a factor of two ORBITALS I N TERMS OF F i j (EQ. 7 )
-Ce---
----C*"-----
(bd
(ad
(a")
i
j = 14
j = 15
3 = 14
dr' dz2dza, dzz
0.000 0.000 0,029 0,000 0.000
0.000 0.080 0.000 0.000 0,000
0.000 0.000 0.000 0,026 0.000
y2
dv?
ELEMENTS OF
THE
TABLE XI1 I OI'ERLAP MATRIXINVOLVING
(a') j = 15
0.000 0,001
0,000 0.000 0.048
THE S U L F U R
d-ORBITALSa
d:i
