Chemistry
Hans Wurst
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The Autobiographer Badge forced me to write this. Resistance was futile.

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All Questions Answers
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8
What is the difference between a configuration state function and a Slater determinant?
Mar 29 '19
6
Is any symmetry element conserved during a supra-antarafacial cyclo addition of two cis-butadiene units
Jun 26 '19
6
Why is chemistry based on rules and exceptions when everything can be simulated?
Sep 25
6
Oscillator Strength and Absorption Intensity in TDDFT
May 12
5
How is the vibration of multiple atoms treated in vibrational spectroscopy?
Jul 27
5
How are the LCAO ansatz and Slater determinant ansatz for the wavefunction connected?
Aug 30 '18
4
Computational determination of the diagram of molecular orbitals of a polyatomic chemical species
Jul 18
3
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?
Sep 12
3
An automated approach to visualize several xyz structures
May 17
3
Using a H NMR spectrum to determine the structure of a protein supplement
Jan 12
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15
Can you estimate the electronic excited state lifetime of a molecule?
11
Exact relationship between electric field and intensity
10
Are dispersion correction methods for DFT (such as D3) useful for geometry optimization?
9
Transformation between two different sets of molecular vibrational normal coordinate systems
8
How are molecular rotational states modeled within the Born Oppenheimer Approximation for polyatomic molecules?

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