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The study of chemical systems using the laws and concepts of physics. This usually requires the techniques of thermodynamics, statistical mechanics and quantum mechanics.

2 votes

How to calculate atomic number of an atom when wavelength is known?

Wikipedia (Bohr Model > Rydberg formula) tells us: The energy of a photon emitted by a hydrogen atom is given by the difference of two hydrogen energy levels: $$E=E_i-E_f=R_\mathrm{E} \left( \fr …
pH13 - Yet another Philipp's user avatar
3 votes

Calculate the molar fraction of a mixture component given only its pressure

Your mole fraction is $$x_\ce{Ar}=\frac{n_\ce{Ar}}{n_\ce{He}+n_\ce{Ne}+n_\ce{Ar}}$$ and you somehow want to insert your pressures. You can try to convert all moles that you don't know into pressures t …
pH13 - Yet another Philipp's user avatar
2 votes
Accepted

Calculating molecular weight of an acid based on titration data

Your error comes from your misunderstanding of what the equivalent points indicate, or as Ivan mystically said: The reason is in the words "...to reach the first endpoint". An n-protic acid, h …
pH13 - Yet another Philipp's user avatar
12 votes
0 answers
283 views

Calculating Triplet-Triplet Spin-Orbit Coupling

According to the Q-Chem manual [1], the singlet-triplet spin-orbit couplings between a singlet excited state $I$ and a triplet excited state state $J$ is: $$\langle\Phi_\text{singlet}^I|\hat{\mathrm H …
pH13 - Yet another Philipp's user avatar
5 votes
Accepted

Degree of association, van't Hoff factor and dissociation constant

There is absolutely no difference in your two equations but you forgot the units which makes it seem like there is a difference. Indeed it is in both cases $$k_a=\frac{c~\alpha^2}{1-\alpha}$$ since w …
pH13 - Yet another Philipp's user avatar
8 votes

How to explain the discrepancy between the calculated absorption wavelength within the parti...

Luckily I found a source containing your molecule as an example. You need your equation for the energy difference between the HOMO and the LUMO, which is (nearly) defined as you wrote: $$\Delta E = \ …
pH13 - Yet another Philipp's user avatar
18 votes
1 answer
797 views

Analytical solution of the Schrödinger Equation for AB^+ systems

According to Wikipedia, there are not many problems for which the Schrödinger equation can be solved analytically. [1] The $\ce{H2+}$ ion is probably the most complex molecule that can be treated this …
pH13 - Yet another Philipp's user avatar
9 votes
1 answer
762 views

Why is the water solubility of CO worse than that of CO2?

I tried my best to ask SciFinder, Google, and Google Scholar the wrong questions ... I found many paper on the fitting of the solubility to some equations to be able to calculate the amount of $\ce{CO …
pH13 - Yet another Philipp's user avatar
4 votes

The proper explanation for the general formula of the DU?

My answer is based on V. Pellegrin, J. Chem. Educ. 1983, 60 (8), 626 which might be inaccessible for you by a pay wall. Starting with Eulers characteristic for planar graphs wich states that adding t …
pH13 - Yet another Philipp's user avatar