All Questions
2
questions
1
vote
1
answer
72
views
Why does Chem3D minimize nitrogen dioxide (radical) so badly? [closed]
I build from text O-N+O (the SMILES of this is O=[N+][O-]), I delete the hydrogen atom added automatically on N, then I start MM2 Minimization. Both the bond length ...
1
vote
0
answers
446
views
How to understand MO diagrams for cationic octahedral transition metal complexes
I am having problems understanding the construction of MO diagrams in octahedral transition metal complexes within ligand field theory (LFT) when the metal center is asumed as an cation:
I am ...
