Complex |
BCP |
ρb
|
∇2ρb
|
Gb
|
Vb
|
Hb
|
-Gb/Vb
|
CN-Ph-CN…PO2F |
N…P |
0.0905 |
0.0204 |
0.0635 |
-0.1219 |
-0.0584 |
0.5210 |
BrCl…CN-Ph-CN |
Cl…N |
0.0147 |
0.0581 |
0.0122 |
-0.0098 |
0.0024 |
1.2403 |
BrCl…CN-Ph-CN…PO2F |
N…P |
0.0899 |
0.0188 |
0.0622 |
-0.1196 |
-0.0575 |
0.5196 |
|
Cl…N |
0.0131 |
0.0524 |
0.0109 |
-0.0086 |
0.0022 |
1.2584 |
ClBr…CN-Ph-CN |
Br…N |
0.0234 |
0.0826 |
0.0185 |
-0.0163 |
0.0022 |
1.1348 |
ClBr…CN-Ph-CN…PO2F |
N…P |
0.0886 |
0.0167 |
0.0597 |
-0.1153 |
-0.0556 |
0.5181 |
|
Br…N |
0.0208 |
0.0752 |
0.0165 |
-0.0142 |
0.0023 |
1.1602 |
BH3…CN-Ph-CN |
B…N |
0.1172 |
0.6804 |
0.2330 |
-0.2959 |
-0.0629 |
0.7874 |
BH3…CN-Ph-CN…PO2F |
N…P |
0.0880 |
0.0159 |
0.0587 |
-0.1135 |
-0.0548 |
0.5175 |
|
B…N |
0.1186 |
0.6988 |
0.2384 |
-0.3020 |
-0.0637 |
0.7892 |
BF3…CN-Ph-CN |
B…N |
0.0708 |
0.0923 |
0.0673 |
-0.1115 |
-0.0442 |
0.6035 |
BF3…CN-Ph-CN…PO2F |
N…P |
0.0884 |
0.0166 |
0.0595 |
-0.1149 |
-0.0554 |
0.5181 |
|
B…N |
0.0216 |
0.0643 |
0.0160 |
-0.0159 |
0.0001 |
1.0042 |
Br-Ph-CN…PO2F |
N…P |
0.0949 |
0.0316 |
0.0720 |
-0.1362 |
-0.0641 |
0.5290 |
NH3…Br-Ph-CN |
N…Br |
0.0148 |
0.0450 |
0.0100 |
-0.0088 |
0.0012 |
1.1415 |
NH3…Br-Ph-CN…PO2F |
N…P |
0.0975 |
0.0419 |
0.0778 |
-0.1452 |
-0.0674 |
0.5360 |
|
N…Br |
0.0167 |
0.0502 |
0.0113 |
-0.0100 |
0.0013 |
1.1269 |
HCN…Br-Ph-CN |
N…Br |
0.0084 |
0.0313 |
0.0063 |
-0.0048 |
0.0015 |
1.3060 |
HCN…Br-Ph-CN…PO2F |
N…P |
0.0970 |
0.0399 |
0.0768 |
-0.1435 |
-0.0668 |
0.5347 |
|
N…Br |
0.0098 |
0.0362 |
0.0074 |
-0.0057 |
0.0017 |
1.2878 |