Title: | 4B |
Browse item: | https://iochem.udg.edu:8443/browse/handle/100/1335 |
Program: | Gaussian 09 ES64L-G09RevE.01 |
Author: | Miłaczewska, Anna |
Formula: | C7H21N2O7 |
Calculation type: | Single point Structure |
Method(s): | RB3LYP - Grimme-D3 |
Charge / Multiplicity: | 1 1 |
Model: | PCM (using non-symmetric T matrix) |
Atomic radii | UFF |
Solvent | Water |
Eps= 4.000000 | |
Eps(inf)= 1.777849 |