Title: | _1_Optimization_and_Frequencies_part1 |
Browse item: | https://iochem-bd.iciq.es:443/browse/handle/100/1838 |
Program: | Gaussian 09 EM64L-G09RevD.01 |
Author: | Serapian, Stefano |
Formula: | C 31 H 23 N 2 O 42 P 1 Sn 1 W 11 |
Calculation type: | Geometry optimization Minimum |
Method(s): | RPBE1PBE - Grimme-D3(BJ) |
Charge / Multiplicity: | -4 1 |
Model: | PCM (using non-symmetric T matrix) |
Atomic radii | UFF |
Solvent | Acetonitrile |
Eps= 35.688000 | |
Eps(inf)= 1.806874 |