Title: | K-I-C6-1THF-I5 |
Browse item: | https://iochem-bd.iciq.es:443/browse/handle/100/8837 |
Program: | Gaussian 09 EM64L-G09RevD.01 |
Author: | Ni, Shaofei |
Formula: | C 54 H 62 B 1 Cu 1 I 1 O 5 P 2 K 1 |
Calculation type: | Single point Structure |
Method(s): | RwB97XD - Grimme-D2 |
Charge / Multiplicity: | 0 1 |
Full point group | C1 | NOp | 1 |
Model: | PCM (using non-symmetric T matrix) |
Atomic radii | SMD-Coulomb. |
Solvent | TetraHydroFuran |
Eps= 7.425700 | |
Eps(inf)= 1.974025 |