Recent content by grunf

Thanx for the tips. I already know that. I am sure that is the key in the some molecular symmetries, but I am not sure. I am looking for some rule, law... Thanx again

I was quite unaccurate. In this case I was thinking on the electron in the Highest Ocuppied Molecular Orbital (HOMO). My mistake :frown:

I have one question about wave functions and molecular orbitals (MO). In the computational quantum chemistry scientists often use Linear Combination Atomic Orbitals (LCAO) to construct MO. \varphi_{i\lambda\alpha}(\vec{r})= \sum\limits_{p=1}^{N}\chi_{p\lambda\alpha}(\vec{r}) C_{i\lambda p}...