Title: | /nonenzymatic_rearrangement TS-2_ab_ascorbic_a+ascorbate |
Browse item: | https://iochem.udg.edu:8443/browse/handle/100/443 |
Program: | Gaussian 09 EM64L-G09RevD.01 |
Author: | Wojdyła, Zuzanna |
Formula: | |
Calculation type: | Single point Structure |
Method(s): | UB3LYP |
Charge / Multiplicity: |
X | Y | Z | Total |
---|---|---|---|
-5.8528 | -30.3052 | -24.6446 | 39.4970 |
XX | YY | ZZ | XY | XZ | YZ |
---|---|---|---|---|---|
-346.8117 | -516.0306 | -437.2790 | -30.3663 | 10.2845 | -190.4356 |