Mk Amshumali

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Questions related from Mk Amshumali

In Gaussian software after optimization i am getting structure with change in bond order or sime times bonds are invisible

After optimization in structure some times it's shows adjacent double bonds in ring and some bonds connected to transition metals are disappeared.is this due to mistake in my...

28 June 2017 2,074 2 View

For the given molecule i have started gaussian calculation but its showing server error message #2070.?

Suggest me correct keywords for getting complete output file of geometry optimization.some times the output terminated abnormally

11 July 2016 6,738 5 View

What is the suitable basis set for Fe,Ni,Co metals in organometallic compounds?

what is the suitable basis set for Fe,Ni,Co metals in organometallic compounds?

04 January 2016 2,781 3 View

Is there any alternate for gaussian software?

is there any alternate for Gaussian software for geometry optimization of larger molecules and also to predict the spectra like UV,IR NMR?

11 December 2015 4,582 10 View