|
Gas phase |
Gas phase |
MD average |
MD average |
MD
average |
C1
|
-0.0059 |
0.0129 |
0.0192±0.0056 |
0.0097± 0.0040 |
0.0138± 0.0038 |
C2
|
0.1348 |
-0.0071 |
0.0926±0.0112 |
-0.0070±0.0011 |
-0.0071± 0.0014 |
C3
|
-0.0074 |
0.1679 |
-0.0064±0.0011 |
0.1581±0.0082 |
0.1581± 0.0095 |
O1
|
0.0300 |
0.0106 |
0.0320±0.0044 |
0.0033± 0.0017 |
0.0043± 0.0028 |
O2
|
0.0360 |
0.0035 |
0.0535±0.0039 |
0.0063± 0.0026 |
0.0030±0.0019 |
N |
0.0563 |
0.0024 |
0.0324±0.0079 |
0.0090± 0.0059 |
0.0019±0.0087 |
Havg(amino)
|
0.00807 |
0.0002 |
0.00097±0.0025 |
-0.0001±0.0001 |
0.0001±0.0001 |
Havg(methyl)
|
0.0052 |
-0.0067 |
0.0041±0.0009 |
-0.0064±0.0005 |
-0.0060±0.0007 |
Hα
|
- |
0.0107 |
- |
0.0070±0.0050 |
0.0110±0.0062 |