Title: | /Ru-iPr-Cl-Second_Reaction-BSSE TS-I2-I8 |
Browse item: | https://iochem-bd.iciq.es:443/browse/handle/100/10052 |
Program: | Gaussian 09 EM64L-G09RevD.01 |
Author: | Fondevila, Adiran J. De Aguirre |
Formula: | C35H55ClOP2Ru |
Calculation type: | Single point Structure |
Method(s): | RwB97XD - Grimme-D2 |
Charge / Multiplicity: | 0 1 |
Model: | PCM (using non-symmetric T matrix) |
Atomic radii | SMD-Coulomb. |
Solvent | Toluene |
Eps= 2.374100 | |
Eps(inf)= 2.238315 |