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Top Questions
15
votes
What are typical runtimes for CASSCF calculations?
computational-chemistry
theoretical-chemistry
ab-initio
asked Jun 23, 2016 at 15:58
chemistry.stackexchange.com
12
votes
Visualizing atoms in XYZ file with colors representing partial charges
quantum-chemistry
computational-chemistry
theoretical-chemistry
asked Sep 17, 2018 at 22:20
chemistry.stackexchange.com
11
votes
When is it necessary to check wavefunction stability in density functional theory?
computational-chemistry
density-functional-theory
asked Jun 22, 2017 at 14:53
chemistry.stackexchange.com
7
votes
Efficiently finding all (x,y,z) points within certain distance of point P
python
computational-physics
computational-geometry
geometry
asked Mar 24, 2018 at 18:55
scicomp.stackexchange.com
7
votes
Reverse Image Searching a ChemDraw Figure
computational-chemistry
molecular-structure
asked Oct 20, 2018 at 23:17
chemistry.stackexchange.com
6
votes
Which rate is faster: one step with Ea or two steps each with Ea/2?
kinetics
catalysis
asked Dec 15, 2016 at 1:14
chemistry.stackexchange.com
5
votes
Deciphering a reviewer's comment: displaying effect size estimates
statistical-significance
confidence-interval
effect-size
asked Dec 7, 2016 at 3:35
stats.stackexchange.com
Top Answers
11
Name for a spin state with a multiplicity of 13
chemistry.stackexchange.com
10
Technical name for the holes (missing electrons) in a p-type semi-conductor?
chemistry.stackexchange.com
7
Dissociation of HCl in aqueous solution
chemistry.stackexchange.com
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