Atomes | Q-4-one | DMQ | DBrQ | ||||||
f− | f+ | Δf | f− | f+ | Δf | f− | f+ | Δf | |
N1 | 0.284 | −0.072 | −0.356 | 0.243 | −0.096 | −0.339 | 0.159 | −0.198 | −0.357 |
C2 | −0.205 | −0.074 | 0.131 | −0.102 | 0.042 | 0.144 | −0.208 | −0.069 | 0.139 |
C3 | 0.051 | 0.141 | 0.089 | −0.051 | 0.035 | 0.086 | −0.049 | 0.047 | 0.096 |
C4 | −0.224 | 0.088 | 0.312 | −0.123 | 0.146 | 0.269 | −0.219 | 0.145 | 0.364 |
C5 | −0.153 | 0.162 | 0.315 | −0.156 | 0.175 | 0.331 | −0.151 | 0.174 | 0.325 |
C6 | −0.103 | −0.124 | −0.81 | −0.106 | −0.189 | −0.083 | −0.981 | −0.167 | −0.814 |
C7 | −0.229 | −0.090 | 0.139 | −0.113 | 0.054 | 0.167 | −0.135 | 0.033 | 0.168 |
C8 | −0.021 | 0.220 | 0.241 | −0.058 | 0.223 | 0.281 | −0.065 | 0.219 | 0.284 |
C9 | −0.009 | −0.038 | −0.029 | −0.007 | −0.028 | −0.021 | 0.006 | −0.017 | −0.023 |
C10 | 0.062 | −0.020 | −0.082 | −0.060 | −0.024 | −0.084 | −0.080 | −0.009 | −0.089 |
C11 | 0.022 | −0.127 | −0.149 | 0.065 | −0.114 | −0.179 | 0.078 | −0.103 | −0.181 |