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