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00:41
@Tyberius or we could subtly suggest to them to ask post the question on MMSE. I do this on Chem.SE sometimes if I feel it would be better served here. I always feel awkward doing that but it tends to have good results.
 
9 hours later…
09:14
1
Q: Heuristic Idea of ColorShapeLink

ErrataI am trying to implement an algorithm to an AI for the ColorShapeLinks game for learning purposes (not joining the competition or sth). Anyway, the game is similar to connect 4, except the fact that it combines both shape and color as the winning conditions, with shape having priority over color....

 
2 hours later…
11:36
0
Q: Is activation energy in an exothermic reaction released again or lost?

RentaroSI am somewhat confused by the definition of activation energy. So what basically happens, is that reactants that would not normally react with each other under standard conditions, such as carbon and oxygen at 1 bar and room temperature, need to be given an initial energy increase, usually done w...

posted on September 11, 2021 by /u/Temporary_Scar8023

I want to create a silica supercell for md studies. How can I generate the pdb file from the silica slab created in materials studio or avogadro? If I simply export it as pdb then some unusual bond connectivities are generated. submitted by /u/Temporary_Scar8023 [link] [comments]

12:27
0
Q: In the LCAO method for $H_2^+$, why do we only add or subtract orbitals but never alter one of the phases of the orbitals?

SalahTheGoatTLDR: Atkins' physical chemistry contains the quote "In general, from N atomic orbitals we can build N molecular orbitals". In the case of $H^+_2$, we use a combination of N=2 orbitals to create the bonding and anti-bonding orbitals as shown in eq 1. But if we allow one of the orbitals to differ ...


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