page 2
HOMO, 1cl(1A′) LUMO, 1cl(1A′)
HOMO, 2cl(1A′) LUMO, 2cl(1A′)
HOMO, 3br(1A′) LUMO, 3br(1A′)
HOMO, 4br(3A″) LUMO, 4br(3A″)
HOMO, 5cl(1A′) LUMO, 5cl(1A′)
HOMO, 6br(1A′) LUMO, 6br(1A′)
suppmat_figure2. 102KB Jun 05 2011 09:30:54 PM
Bebas
1
0
0
Teks penuh
Gambar
Dokumen terkait
Schematic representation of cyclical permutation in energy data refinement: (a)Matrix representation for angle 1 data, where two different regions were selected
The bond lengths were allowed to refine in an interval that was 0.05 Å larger than the maximum values of all occurences of the respective bond, the bond stretching force constants
The Chemistry of the Carbon-Carbon Triple Bond; John Wiley & Sons: New York, 1978; Vol... CODATA Key Values for
Calculated pK a and pK int for Some Titratable Residues from the Active Site of the Model of the Michaelis Complex of E. licheniformis 749/C Wild Type, its Glu166Ala
Bond, angle and torsion parameters added to build the MM model of imipenem. Some atom labels are shown in
the molecules and atomic connectivity formulas can be displayed using computer software supplied withb. the
Molecular Systems, Merck Research
TAE/RECON PETN Molecular Surface Properties
