In this question, user Nicolau Saker Neto states that "The distinction between enthalpy and Gibbs free energy in such subatomic reactions is completely negligible, as the entropic factor is laughably small in comparison, in any reasonable conditions." I have been trying to find a source that stat...

I understand (for example in the case of H2) that two s orbitals produce through constructive interference a bonding orbital and that the out of phase combination of two s orbitals leads to destructive interference, followed by the apparition of an antibonding orbital, but, as far as I know, thes...

Does anyone know where I can find numerical data for the $g$ tensor and hyperfine tensor for a nitroxide spin label where the nitrogen-14 atom has been replaced by a nitrogen-15 atom? I'm really getting lost in the literature. I come from outside the field of biological EPR so it's very difficult...

I am considering the spin state's effect on the charge carrier's lifetime, I was told that high spin and low spin state could coexist when the crystal field splitting energy and the pairing energy are close, but I am not sure how to estimate the ratio between high spin state and low spin state, i...

I have heard people talk about DFT functionals built starting from MP2 corrections. Do you happen to have a reference I read about that from?

There is this question: What exactly is meant by 'multi-configurational' and 'multireference'? But I still don't understand what the multiple "references" are. I understand that you can for example use a HF Ansatz and exited states for multi-configurational methods. And that multi reference metho...