# All Questions

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### Quenching rates in nucleation MD simulations

I am trying to perform nucleation simulations with molecular dynamics. To prepare the metastable fluid, I am equilibrating at temperatures about 30 K above the melting temperature, and then "quenching"...
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704 views

### Free Web-Based Orbital Solver to look into the Walsh orbitals of a perturbed cyclopropane

There exists a free online orbital calculator. When I draw cyclopropane it plots three molecular orbitals, but unfortunately it doesn't use the Walsh orbitals. Are there any free online tools which ...
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190 views

### How to get defect-energy level diagram from PL data

I am reading this article Phys. Chem. Chem. Phys. , 2011, 13, 14902-14905 and seen that the authors have drawn a image of defect level using PL data Can you explain me how this diagram can be drawn ...
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482 views

### multielectron spin-orbit coupling and energy level

For multi-electron atoms for which the Hamiltonian (including the spin-orbit coupling) reads $$H=\sum_i T_i-Z\sum_i V_i+\sum_i V_i^{\text{s.o.}}+\sum_{i>j}V_{ij}$$ The $T_i$ are the kinetic ...
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### Distilling milligram quantities of oil like it's late 1970s

In a currently retracted* manuscript by Tomas Hudlicky [1, Retraction Watch] the following has been noted: Fifty years ago professors took an active part in all laboratory instructions and they ...
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244 views

### Relativistic contraction of orbitals

I am confused about what seems to me two very different explanations for the relativistic contraction of orbitals for heavy elements. My teacher told me that since 1s electrons in heavy elements ...
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