Chemistry
Tyberius
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Grad student at the University of Kansas pursuing a PhD in computational chemistry.

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67
Is it true that heavy water is not blue?
Apr 4 '17
48
What volume does one mole of an ideal gas occupy?
Aug 2 '17
25
Are stronger bonds always shorter?
Apr 27 '17
19
Why do we not generally have "enneane"?
Apr 28 '18
18
Why do Enantiomers have different chemical properties with optically active reagents?
Jun 3 '21
16
Are the canonical orbitals of Hartree-Fock also the natural orbitals?
Jul 24 '17
15
Why don't the MO energies sum up to Hartree-Fock SCF value?
Jul 2 '21
15
Molecular orbital diagram for BF3
Aug 22 '17
14
Etymology of saturation degrees (-ane, -ene, -yne) in aliphatic compounds
Dec 2 '17
14
Predicting sigma bond overlap strengths of s-s, p-p, s-p, sp-sp etc
Aug 19 '17
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MathJax in the Android App
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2019 Potential Moderator Election Community Interest Check
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What is the best site to ask computational questions?
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35
What is the closest thing we have to "the" universal density functional?
30
Why does orbital-free DFT scale linearly with system size?
26
How to determine, a priori, whether a compound has multireference character?
23
When do relativistic effects need to be explicitly included?
22
Did the 2019 discovery of O(N log(N)) multiplication have a practical outcome?

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