I'm trying to do a redundant PES scan in a Gaussian job while maintaining the rest of the system fixed. In fact, I want a $\ce{C-H}$ distance to be increased so the leaving hydrogen approaches another fixed hydrogen. When I do a simple scan, the hydrogen 6 just approaches the hydrogen 5. Is there...

Because future AI may produce emergent phenomena, and because these are probably gaps in our current understanding of this, it feels like complex systems may be an increasingly important research field. Unless there is some kind of commonality of emergent behaviour (or aspects of complex systems ...

for cyclic ring polymers, I have seen them being opened up by using certain chemical factors. However, if the ring is closed by a weak bond or linker, can the ring be opened if it’s having a “tug of war moment,” where opposite sides sides have force exerted on them? Thanks.

From Quanta Magazine, 'Graphene Superconductors May Be Less Exotic Than Physicists Hoped'. : Excitement rose earlier this year with the discovery of superconductivity in a similar system: three layers of graphene twisted at their own special angle. Both systems shared a rare, 180-degree rotationa...