I know that in a mixture of different gases, we can assign every type of gas molecules a partial pressure so that the total pressure is the sum of all partial pressures. This can be extended to gas molecules solved (is that the correct word?) in a liquid when there is a liquid phase next to a gas...

i have a little doubt, i want to build a cpu to running high level calculations on Gaussian 16 (like molecules with 20 atoms employing CC or DFT methods with extensive basis set). My question consist in : what is the optimal hardware to perform this kind of calculations in the less time posible?

Even as Hückel's rule is not applicable in every scenario, especially in metallic clusters, it seems that organic structure need to be planar to show aromaticity. That being the case, Pubchem's representation of Phthalocyanine shows a non-planar structure: Phthalocyanine Pubchem Is this represent...

In an octahedral complex, if we assume the metal ion to be inside a cube then ligands will approach from its faces. So the axial d orbitals will experience more electronic repulsion as compared to non-axial d orbitals. That's why they are higher in energy. But what I am finding difficult to unde...

If you heat up diamond away from oxygen (air completely) until the solid diamond is now gaseous, what are the gas particles made of? Just the element carbon without a charge?