Title: | /B3LYP_6-31+Gd_optimisation_frequencies/no_guest Ax-i-M-trs-M-trs_B3LYP_6-31plGd_chloroformSMD_optimisation |
Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/275822 |
Program: | Gaussian 16 ES64L-G16RevC.02 |
Author: | Serapian, Stefano A. |
Formula: | C66H72N8 |
Calculation type: | Geometry optimization Minimum |
Method(s): | RB3LYP |
Charge / Multiplicity: | 0 1 |
Model: | PCM |
Atomic radii | SMD-Coulomb. |
Solvent | Chloroform |
Eps= 4.711300 | |
Eps(inf)= 2.090627 |