Chemistry
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pentavalentcarbon
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25
What are typical runtimes for CASSCF calculations?
Jul 5, 2016
answer
24
How to calculate molecular dipole moment from a known wavefunction?
Sep 19, 2015
question
19
Creating energy profile diagrams for publication
Jan 9, 2016
answer
19
Is dipole moment a vector?
May 18, 2017
answer
17
What do these labels for molecular electronic states mean?
Sep 5, 2016
question
16
How are polarizabilities measured experimentally?
Feb 21, 2018
question
15
Is zero-point vibrational energy an intensive or extensive property?
May 16, 2017
answer
15
Why are correlation consistent basis sets used with DFT calculations?
Jun 30, 2016
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15
Python package for modelling chemical reactions
May 19, 2017
answer
14
How to calculate Lennard-Jones potential with quantum mechanical methods
Jun 28, 2017
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Where do I look for advice on computational chemistry software?
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Editor to use on PC with windows to format answers?
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Does being unemployed after a PhD reflect poorly on my advisor?
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