Grignard Reaction (Transition State) Gaussian 09

[@shahfahad1854]

Have you experience in MOFs using gaussian

[@ManpreetKaur-qh1im]

it is very helpful video for optimisation of transition state

[@The1NarutoGirl1]

I would like to start working with GaussView. What literature do you recommend for a beginner?

[@alexisdelgado8737]

The manual of course

[@amanullah-hf5gp]

but its not a perfect transition state due is imaginary frequency gone to positive side.

[@leylas174]

Hi, I was wondering do you know how to optimise organometallic compounds using gaussian?

[@MuhammadKhan-fg4yo]

You mean Energy optimization?

[@leylas174]

Yes, I am attempting to look at the triplet MLCT of [Re(Co)3(phen)(OH2)]+ so i was told to optimise the structure using B3LYP I just wondering how you would do this? Im new to computational chemistry so i would appreciate any help. Thank you!

[@MuhammadKhan-fg4yo]

Sure! Let me check my directory for such structures or transition states for particular type of compounds.

[@leylas174]

Thank you so much!!!

[@MuhammadKhan-fg4yo]

([e-mail]) inbox me ur email address

[@mustafamohammed9115]

this calculated error because you make opt and this will back the bonds length to original length according to calculations suggested