Mitradip Das
  • Member for 6 years, 4 months
  • Last seen more than a month ago
  • Mumbai, Maharashtra, India
Is the correct zeroth-order wave function $\phi^{(0)}$ an eigenfunction of the perturbation Hamiltonian $H'$?
1 votes

No, writing $\hat{H}'\psi_3^{(0)} = E_3^{(1)} \psi_3^{(0)}$ will be incorrect. I will give you two explanations for the same, one intuitive and other mathematical. Intuitive Explanation: Assuming ...

View answer
Does exchange energy affect completely filled orbitals?
2 votes

It seems like you are just being introduced to quantum mechanics and is confused with the concept of exchange energy. The concept can be confusing at first, since it neither involves exchanging ...

View answer
Kinetics Vs Thermodynamics : Apparent contradiction in the definition of Enthalpy in the two disciplines
Accepted answer
5 votes

The reason might be that while drawing the reaction energy profile, we forget to mention what energy we are mentioning in the Y-axis. The following conventions are generally used: If reaction ...

View answer
How to compare size of subshells?
1 votes

Before we start answering the question, we should first understand what the radius of electron is. According to quantum mechanics, the electron density is smeared across the space, and strictly ...

View answer
Can you purify a metal oxide with a laser?
1 votes

this is an interesting question and I will answer it a bit differently. There is a well known analysis technique in materials chemistry called ICP-MS (Inductively Coupled Plasma Mass Spectrometry) ...

View answer
Defining general acidic strength
2 votes

$K_\mathrm{a}$ is the measurement of equilibrium constant when an acid dissociates as: $$\ce{HA <=> H+ + A-}$$ $$K_\mathrm{a} = \frac{[\ce{H+}][\ce{A-}]}{[\ce{HA}]}$$ The term $\mathrm{p}K_\...

View answer
How can an atom have 2 outer shells?
0 votes

First of all, I would like to thank @john for the question. Though this looks like a homework question, but this question actually tests the principles of quantum mechanics we understand in atomic ...

View answer
What happens to the NMR of an alcohol when D2O is added?
Accepted answer
2 votes

Thank you for the question. This is a very basic physical chemistry question but the way it has been asked is interesting. In order to understand the probability of displacement of a H from any X-H ...

View answer
High-temperature DFT
4 votes

First if all, I appreciate you and thank you for putting up such a good question. One thing I will request you to note here is the definition of temperature. Temperature, in broad sense, is defined ...

View answer
Does the first step in electrophilic aromatic substitution follow equilibrium? If so, can equilibrium constant be calculated?
Accepted answer
1 votes

Let me put it this way: Every compound exist in a 3N dimensional configuration space (may be simple XYZ coordinates of the system, may be internal coordinates, based on your choice), and based on the ...

View answer
How is purine aromatic?
6 votes

Consider this structure of purine: The ring on the left contains two nitrogen heteroatoms and is aromatic due to π electron conjugation. Having six π electrons, it obeys Hückel's rule. For the ring ...

View answer
I'm a layman, but I'd like to know to to use GAMESS for some specific tasks
Accepted answer
2 votes

For GAMESS, the command is not $\$STATTP$, but it is $\$STATPT$. Also, please change the commas to dot, otherwise it considers it to be a part of the number. Please refer to the GAMESS manual for ...

View answer
Kc(equilibrium constant) and Kp
Accepted answer
1 votes

From the ideal gas equation, we get $$PV=nRT \implies P=\frac{n}{V}RT=cRT$$ where $c$ represents the concentration. Consider an arbitrary reaction $$n_AA\rightarrow n_BB$$ $$K_c=\frac{c_B^{n_B}}{c_A^...

View answer
Excitation of an electron of H-atom from n=2 to any $n_2 $
1 votes

The excitation of electrons are caused by photons while their de-excitation is causes the emission of photons of the same energy as the energy differemce between two states. The general expression for ...

View answer
Why can't diamagnetic, and paramagnetic magnetize?
Accepted answer
0 votes

The concept of Ferromagnetism, Paramagnetism and Diamagnetism is completely different, though they all show magnetic properties. FERROMAGNETISM: This is constituted of domain and each domain contains ...

View answer
Gravimetric analysis of barium or sulfate
1 votes

I think $\ce{BaCl2}$ should be added later. This is because $\ce{BaCl2}$ is soluble in water, but the metal sulphate you will be given may not be soluble. So if you add $\ce{M2SO4}$ later, you may get ...

View answer