Title: | /Methyl_substituent_(R=Me)/Single_Point_Calculations I5-SP-Me |
Browse item: | https://iochem-bd.iciq.es:443/browse/handle/100/5256 |
Program: | Gaussian 09 EM64L-G09RevD.01 |
Author: | Mudarra, Ángel Luís |
Formula: | C 25 H 16 B 1 Br 9 Cu 1 N 7 O 2 S 1 |
Calculation type: | Single point Structure |
Method(s): | RB3LYP - Grimme-D3 |
Charge / Multiplicity: | 0 1 |
Model: | PCM (using non-symmetric T matrix) |
Atomic radii | SMD-Coulomb. |
Solvent | Dichloromethane |
Eps= 8.930000 | |
Eps(inf)= 2.028346 |