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Chemistry
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Dan's user avatar
Dan's user avatar
Dan
  • Member for 12 years, 3 months
  • Last seen more than a month ago
  • Boulder, CO
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About

IT jack of all trades.

I specialize in python, C++, matlab, and various scientific computation and linuxy things.

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26
How should I go about picking a functional for DFT calculations?
Jun 4, 2012
25
What does "reaction coordinate" mean? What does it mean when a reaction has TWO reaction coordinates?
May 19, 2012
22
Is there a simple way to get the circular dichroism of a molecule from its structure?
Aug 23, 2012
16
Is circularly polarized light ever used to isolate particular chiralities?
May 19, 2012
13
Do noble gasses besides Helium form diatomic molecules at low temperatures?
May 24, 2012
12
Are there any molecules with delta bonds in their ground states?
Jun 30, 2012
6
Why don't trigonal S and P compounds undergo inversion at room temperature?
May 20, 2012
6
What units do I use for energy in the Boltzmann distribution?
Nov 12, 2013
5
Why is Avogadro's statement true that at STP conditions all matter have same number of atoms or molecules?
Apr 14, 2016
4
Why are isomers difficult to separate?
Oct 5, 2012
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806
How do I grep for multiple patterns with pattern having a pipe character?
522
Start a background process in Python
69
Shoe-themed race or class features
57
What symmetry causes the Runge-Lenz vector to be conserved?
55
How can I diff a single file with magit?