[Moses]

Hello

I need to investigate with of the following molecules less stable (will react faster), using Gaussian: methyl lithium, Ethyl lithium, Ethynyl lithium, Ethylene lithium and Phenyl lithium and tert Buthyl lithium .
To do so I checked the Mulliken charge on the carbon of each. In addition I want to check in which of the molecule the main carbon participate more in the HOMO. I don’t know how to do that.
I think this information might hide in the table "Condensed to atoms (all electrons), or "Gross orbital populations", but I can't find out what information those table give me.
If you have better why to determine with molecule is more reactive please share with me.

[Moses]

Another thing I done was to compare the hartree fock energy for the reaction: "2Monomers <-->dimer" in order to determine which will tend better to create dimers, tetramers and so.