Title: | /SPE TS_A2A3PP_EXO |
Browse item: | https://iochem.udg.edu:8443/browse/handle/100/732 |
Program: | Gaussian 09 ES64L-G09RevE.01 |
Author: | Artigas, Albert |
Formula: | C 64 H 57 N 1 O 4 P 2 Rh 1 S 1 |
Calculation type: | Single point Structure |
Method(s): | RM06L - Grimme-D3 |
Charge / Multiplicity: | 1 1 |
Full point group | C1 | NOp | 1 |
Model: | PCM (using non-symmetric T matrix) |
Atomic radii | SMD-Coulomb. |
Solvent | Generic |
Eps= 7.790000 | |
Eps(inf)= 1.408500 |