Title: | /nonenzymatic_rearrangement P_ab_acetic_a+acetate |
Browse item: | https://iochem.udg.edu:8443/browse/handle/100/458 |
Program: | Gaussian 09 EM64L-G09RevD.01 |
Author: | Wojdyła, Zuzanna |
Formula: | |
Calculation type: | Single point Structure |
Method(s): | UB3LYP |
Charge / Multiplicity: |
X | Y | Z | Total |
---|---|---|---|
-11.4614 | -35.5921 | -28.2876 | 46.8866 |
XX | YY | ZZ | XY | XZ | YZ |
---|---|---|---|---|---|
-219.6699 | -399.6767 | -348.1319 | -77.4620 | -51.1214 | -204.2021 |