blob: c6f4de5ea745e5be971451e496c6237aa59f5950 (
plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
|
Br-Si-Al theta0= 1.7652586254 Ktheta= 0.166741678089 CenterHybridization= sp3
Br-Si-B theta0= 1.6676043437 Ktheta= 0.188636390077 CenterHybridization= sp3
Br-Si-Br theta0= 1.9466265756 Ktheta= 0.764652427619 CenterHybridization= sp3
Br-Si-Ga theta0= 1.7740165235 Ktheta= 0.224419724287 CenterHybridization= sp3
Br-Si-O theta0= 1.9424260132 Ktheta= 0.811779371942 CenterHybridization= sp3
Br-Si-S theta0= 1.8701791770 Ktheta= 0.789353249803 CenterHybridization= sp3
Br-Si-Se theta0= 1.8501904762 Ktheta= 0.702263105064 CenterHybridization= sp3
Cl-Si-Al theta0= 1.9684134299 Ktheta= 0.446122752507 CenterHybridization= sp3
Cl-Si-B theta0= 1.9878527361 Ktheta= 0.613137825683 CenterHybridization= sp3
Cl-Si-Br theta0= 1.9393161105 Ktheta= 0.797614802652 CenterHybridization= sp3
Cl-Si-Cl theta0= 1.9304580235 Ktheta= 0.836305539676 CenterHybridization= sp3
Cl-Si-Ga theta0= 1.9644813340 Ktheta= 0.492867368530 CenterHybridization= sp3
Cl-Si-O theta0= 1.9229153912 Ktheta= 0.906765850666 CenterHybridization= sp3
Cl-Si-S theta0= 1.8483151984 Ktheta= 0.810554451546 CenterHybridization= sp3
Cl-Si-Se theta0= 1.8678820270 Ktheta= 0.765633838108 CenterHybridization= sp3
F-Si-Al theta0= 1.9963715904 Ktheta= 0.447547221965 CenterHybridization= sp3
F-Si-B theta0= 1.9634674443 Ktheta= 0.622048220414 CenterHybridization= sp3
F-Si-Br theta0= 1.8880721302 Ktheta= 0.737995751293 CenterHybridization= sp3
F-Si-Cl theta0= 1.9179214596 Ktheta= 0.793341459524 CenterHybridization= sp3
F-Si-F theta0= 1.8990031325 Ktheta= 0.788266580435 CenterHybridization= sp3
F-Si-Ga theta0= 1.8917010275 Ktheta= 0.480537437365 CenterHybridization= sp3
F-Si-O theta0= 1.9128050357 Ktheta= 0.897728213301 CenterHybridization= sp3
F-Si-S theta0= 1.8278120827 Ktheta= 0.759797359693 CenterHybridization= sp3
F-Si-Se theta0= 1.8137904740 Ktheta= 0.802569865254 CenterHybridization= sp3
Al-Si-Al theta0= 1.9797100717 Ktheta= 0.225576970321 CenterHybridization= sp3
Al-Si-As theta0= 1.8897065316 Ktheta= 0.193059081495 CenterHybridization= sp3
Al-Si-B theta0= 1.8029571682 Ktheta= 0.202703078971 CenterHybridization= sp3
Al-Si-Ga theta0= 1.9518211153 Ktheta= 0.245450635929 CenterHybridization= sp3
Al-Si-N theta0= 1.9020126421 Ktheta= 0.494326116203 CenterHybridization= sp3
Al-Si-O theta0= 1.8581771918 Ktheta= 0.483747169242 CenterHybridization= sp3
Al-Si-S theta0= 1.9011494896 Ktheta= 0.438494094884 CenterHybridization= sp3
Al-Si-Se theta0= 1.8893712817 Ktheta= 0.386822396094 CenterHybridization= sp3
As-Si-As theta0= 2.0923291677 Ktheta= 0.537555536130 CenterHybridization= sp3
As-Si-Br theta0= 2.0051688020 Ktheta= 0.632936632090 CenterHybridization= sp3
As-Si-Cl theta0= 2.0076887381 Ktheta= 0.634256980236 CenterHybridization= sp3
As-Si-F theta0= 1.9852338189 Ktheta= 0.565604798793 CenterHybridization= sp3
As-Si-H theta0= 1.9791777358 Ktheta= 0.506962462242 CenterHybridization= sp3
As-Si-O theta0= 1.9103731864 Ktheta= 0.706426037021 CenterHybridization= sp3
As-Si-S theta0= 1.9449916315 Ktheta= 0.626141316190 CenterHybridization= sp3
As-Si-Se theta0= 1.9180968739 Ktheta= 0.600637507603 CenterHybridization= sp3
B-Si-As theta0= 1.7059097131 Ktheta= 0.239528066121 CenterHybridization= sp3
B-Si-B theta0= 1.8151465599 Ktheta= 0.302723706777 CenterHybridization= sp3
B-Si-N theta0= 1.8668305674 Ktheta= 0.333455158309 CenterHybridization= sp3
B-Si-O theta0= 1.9192969222 Ktheta= 0.696787072369 CenterHybridization= sp3
B-Si-P theta0= 1.7469587086 Ktheta= 0.229282839029 CenterHybridization= sp3
B-Si-S theta0= 1.9021856985 Ktheta= 0.573302506716 CenterHybridization= sp3
B-Si-Se theta0= 1.8940471898 Ktheta= 0.564624291931 CenterHybridization= sp3
Ga-Si-As theta0= 1.8894638645 Ktheta= 0.236565282194 CenterHybridization= sp3
Ga-Si-B theta0= 1.8033095781 Ktheta= 0.229030176647 CenterHybridization= sp3
Ga-Si-Ga theta0= 1.9314708799 Ktheta= 0.264513315521 CenterHybridization= sp3
Ga-Si-N theta0= 2.0757747495 Ktheta= 0.501355940990 CenterHybridization= sp3
Ga-Si-O theta0= 1.8792699443 Ktheta= 0.545783291187 CenterHybridization= sp3
Ga-Si-P theta0= 1.9501678923 Ktheta= 0.261806122692 CenterHybridization= sp3
Ga-Si-S theta0= 1.9235296458 Ktheta= 0.470308636394 CenterHybridization= sp3
Ga-Si-Se theta0= 1.8690857038 Ktheta= 0.439113174894 CenterHybridization= sp3
N-Si-As theta0= 2.0879148426 Ktheta= 0.647239662512 CenterHybridization= sp3
N-Si-Br theta0= 2.0070802395 Ktheta= 0.754485301199 CenterHybridization= sp3
N-Si-Cl theta0= 2.0131046798 Ktheta= 0.761499022047 CenterHybridization= sp3
N-Si-F theta0= 2.0083755147 Ktheta= 0.796619058100 CenterHybridization= sp3
N-Si-H theta0= 2.0192918144 Ktheta= 0.709701449517 CenterHybridization= sp3
N-Si-N theta0= 2.1228134968 Ktheta= 0.797831613251 CenterHybridization= sp3
N-Si-O theta0= 1.9397222556 Ktheta= 0.889425927087 CenterHybridization= sp3
N-Si-S theta0= 1.9229653390 Ktheta= 0.788581109770 CenterHybridization= sp3
N-Si-Se theta0= 1.9461035127 Ktheta= 0.756389825358 CenterHybridization= sp3
P-Si-Al theta0= 1.9582024579 Ktheta= 0.251021127420 CenterHybridization= sp3
P-Si-As theta0= 2.1108253573 Ktheta= 0.546913640492 CenterHybridization= sp3
P-Si-Br theta0= 2.0203848984 Ktheta= 0.667799434690 CenterHybridization= sp3
P-Si-Cl theta0= 2.0048904709 Ktheta= 0.682926769184 CenterHybridization= sp3
P-Si-F theta0= 2.0023751897 Ktheta= 0.637778422024 CenterHybridization= sp3
P-Si-H theta0= 1.9931900262 Ktheta= 0.535461143208 CenterHybridization= sp3
P-Si-N theta0= 2.0997973234 Ktheta= 0.663751013841 CenterHybridization= sp3
P-Si-O theta0= 1.9140844004 Ktheta= 0.725895819563 CenterHybridization= sp3
P-Si-P theta0= 2.1045328432 Ktheta= 0.591107457290 CenterHybridization= sp3
P-Si-S theta0= 1.9253266508 Ktheta= 0.684146885948 CenterHybridization= sp3
P-Si-Se theta0= 1.9701304220 Ktheta= 0.620061503383 CenterHybridization= sp3
C-Si-Al theta0= 1.9942125849 Ktheta= 0.435285239946 CenterHybridization= sp3
C-Si-As theta0= 2.0099127256 Ktheta= 0.616678587542 CenterHybridization= sp3
C-Si-B theta0= 2.0223108255 Ktheta= 0.610287204200 CenterHybridization= sp3
C-Si-Br theta0= 1.9203955162 Ktheta= 0.763342540358 CenterHybridization= sp3
C-Si-C theta0= 1.9539972669 Ktheta= 0.773619220643 CenterHybridization= sp3
C-Si-Cl theta0= 1.9096498940 Ktheta= 0.790758348516 CenterHybridization= sp3
C-Si-F theta0= 1.8835683692 Ktheta= 0.846049105915 CenterHybridization= sp3
C-Si-Ga theta0= 2.0070934936 Ktheta= 0.467813147430 CenterHybridization= sp3
C-Si-H theta0= 1.9317851945 Ktheta= 0.629214123540 CenterHybridization= sp3
C-Si-N theta0= 2.0175554299 Ktheta= 0.837217254304 CenterHybridization= sp3
C-Si-O theta0= 1.8526223534 Ktheta= 0.936559658329 CenterHybridization= sp3
C-Si-P theta0= 2.0055854680 Ktheta= 0.662468224604 CenterHybridization= sp3
C-Si-S theta0= 1.8582744939 Ktheta= 0.779993633587 CenterHybridization= sp3
C-Si-Se theta0= 1.8742140711 Ktheta= 0.730827113220 CenterHybridization= sp3
Ge-Si-Al theta0= 1.9817374671 Ktheta= 0.358617168831 CenterHybridization= sp3
Ge-Si-As theta0= 2.0187690987 Ktheta= 0.469145324327 CenterHybridization= sp3
Ge-Si-B theta0= 2.0075432562 Ktheta= 0.450365106529 CenterHybridization= sp3
Ge-Si-Br theta0= 1.9322423190 Ktheta= 0.547555628113 CenterHybridization= sp3
Ge-Si-C theta0= 1.9587459639 Ktheta= 0.545636024890 CenterHybridization= sp3
Ge-Si-Cl theta0= 1.9126006663 Ktheta= 0.564106846861 CenterHybridization= sp3
Ge-Si-F theta0= 1.8662642971 Ktheta= 0.576533115568 CenterHybridization= sp3
Ge-Si-Ga theta0= 2.0326171187 Ktheta= 0.372895044006 CenterHybridization= sp3
Ge-Si-Ge theta0= 1.9892145379 Ktheta= 0.437366571295 CenterHybridization= sp3
Ge-Si-H theta0= 1.9167504781 Ktheta= 0.482133973883 CenterHybridization= sp3
Ge-Si-N theta0= 2.0205092286 Ktheta= 0.581745163997 CenterHybridization= sp3
Ge-Si-O theta0= 1.8551947837 Ktheta= 0.635616081647 CenterHybridization= sp3
Ge-Si-P theta0= 2.0196739542 Ktheta= 0.494365935492 CenterHybridization= sp3
Ge-Si-S theta0= 1.8866300275 Ktheta= 0.561928268625 CenterHybridization= sp3
Ge-Si-Se theta0= 1.8730637193 Ktheta= 0.542323288489 CenterHybridization= sp3
Ge-Si-Si theta0= 1.9485735620 Ktheta= 0.424000247879 CenterHybridization= sp3
Si-Si-Al theta0= 2.0454854173 Ktheta= 0.338269877409 CenterHybridization= sp3
Si-Si-As theta0= 1.9958387484 Ktheta= 0.427861253386 CenterHybridization= sp3
Si-Si-B theta0= 2.0486807382 Ktheta= 0.423143551492 CenterHybridization= sp3
Si-Si-Br theta0= 1.9141653627 Ktheta= 0.508666593636 CenterHybridization= sp3
Si-Si-C theta0= 1.9622837219 Ktheta= 0.541796302027 CenterHybridization= sp3
Si-Si-Cl theta0= 1.9239277694 Ktheta= 0.574331306013 CenterHybridization= sp3
Si-Si-F theta0= 1.9481128387 Ktheta= 0.524943610953 CenterHybridization= sp3
Si-Si-Ga theta0= 2.0152842626 Ktheta= 0.343776921532 CenterHybridization= sp3
Si-Si-H theta0= 1.9282838756 Ktheta= 0.471209283277 CenterHybridization= sp3
Si-Si-N theta0= 2.0332282597 Ktheta= 0.553031041781 CenterHybridization= sp3
Si-Si-O theta0= 1.8495644894 Ktheta= 0.616103357090 CenterHybridization= sp3
Si-Si-P theta0= 2.0258086259 Ktheta= 0.482464139753 CenterHybridization= sp3
Si-Si-S theta0= 1.8800957661 Ktheta= 0.599002858033 CenterHybridization= sp3
Si-Si-Se theta0= 1.8927521136 Ktheta= 0.500915569778 CenterHybridization= sp3
Si-Si-Si theta0= 1.9982258299 Ktheta= 0.436439156125 CenterHybridization= sp3
H-Si-Al theta0= 1.9130734917 Ktheta= 0.338047168642 CenterHybridization= sp3
H-Si-B theta0= 1.8571985089 Ktheta= 0.352817642791 CenterHybridization= sp3
H-Si-Br theta0= 1.8922825136 Ktheta= 0.637107593607 CenterHybridization= sp3
H-Si-Cl theta0= 1.8940758918 Ktheta= 0.667986529685 CenterHybridization= sp3
H-Si-F theta0= 1.8875125445 Ktheta= 0.717697435398 CenterHybridization= sp3
H-Si-Ga theta0= 1.8931693573 Ktheta= 0.357692694289 CenterHybridization= sp3
H-Si-H theta0= 1.9108108748 Ktheta= 0.561368162828 CenterHybridization= sp3
H-Si-O theta0= 1.8471259154 Ktheta= 0.742619996409 CenterHybridization= sp3
H-Si-S theta0= 1.8402852579 Ktheta= 0.619425834122 CenterHybridization= sp3
H-Si-Se theta0= 1.8415472148 Ktheta= 0.585636258039 CenterHybridization= sp3
O-Si-O theta0= 1.8375042957 Ktheta= 1.059211050995 CenterHybridization= sp3
O-Si-Se theta0= 1.8073032423 Ktheta= 0.815087912925 CenterHybridization= sp3
S-Si-O theta0= 1.8796310163 Ktheta= 0.905929651390 CenterHybridization= sp3
S-Si-S theta0= 1.7899411450 Ktheta= 0.845981817405 CenterHybridization= sp3
S-Si-Se theta0= 1.8373527348 Ktheta= 0.755798685007 CenterHybridization= sp3
Se-Si-Se theta0= 1.7875122278 Ktheta= 0.760091174672 CenterHybridization= sp3
|