Title: | Int4a-trans-solv |
Browse item: | https://iochem-bd.iciq.es:443/browse/handle/100/563 |
Program: | Gaussian 09 EM64L-G09RevD.01 |
Author: | González Fabra, Joan |
Formula: | C 49 H 62 Al 1 Cl 1 N 1 O 9 |
Calculation type: | Single point Structure |
Method(s): | RB97D3 |
Charge / Multiplicity: | -1 1 |
Model: | PCM (using non-symmetric T matrix) |
Atomic radii | UFF |
Solvent | 1-Hexanol |
Eps= 12.510000 | |
Eps(inf)= 2.010157 |