Not sure if this is a physics or chemistry question. But if the motion of atoms and it's particles can be described by quantum mechanics, then is there a software that simulate full atoms and it's ...
I was fooling around with string diagrams in a monoidal category and I was thinking about them in terms of chemical reactions. I wondered about bending a wire around and attaching it to the input of ...
Does the Born-Oppenheimer approximation fail for muonic molecules (i.e. molecules where one or more electrons are replaced with muons)?
Imagine I have an sp3 hybridized carbon attached to four separate polyethylene chains. By pulling on the polyethylene chains in some manner, is it possible for me to mechanically isomerize the chiral ...
This is a question for the physical chemists out there. For a given chemical reaction there is a barrier to traverse in order to proceed from reactants to products. Reactants e.g. an organic base ...
I have been taught in school that atoms cannot have more than 8 electrons in the outer shell. Palladium atom's electron configuration is 2,8,18,18. Why isn't it 2,8,18,17,1 like the case of Platinum ...
I'm looking for a software or software package (for example C/C++) that can simulate a lot (say thousands at least) of molecules in action (ie. in movement or attached to say static walls). I have ...