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2
votes
1answer
197 views

Is it possible to mechanically isomerize an sp3 hybridized carbon center?

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 ...
4
votes
1answer
248 views

Physical Chemistry: What's the relationship between orbital overlap and barrier shape?

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 ...
6
votes
1answer
725 views

Is Palladium an exception?

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 ...
9
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4answers
2k views

Does it exist a free good molecule / atom simulation software?

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 ...