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Top Questions
17
votes
Methods for visualising aromaticity
software
electronic-structure
molecular-modeling
asked May 18, 2020 at 20:11
mattermodeling.stackexchange.com
13
votes
How do I extract a molecular structure from a CIF file?
software
molecular-modeling
crystal-structure
cif
asked Jul 21, 2020 at 14:29
mattermodeling.stackexchange.com
12
votes
Plotting of natural bond orbitals (NBOs)
software
visualization-software
orbitals
asked Jun 17, 2020 at 19:00
mattermodeling.stackexchange.com
Top Answers
9
Is there a free package with robust CASSCF functionality?
mattermodeling.stackexchange.com
9
Plotting of natural bond orbitals (NBOs)
mattermodeling.stackexchange.com
9
How do I extract a molecular structure from a CIF file?
mattermodeling.stackexchange.com
9
How is group theory used to deduce which of these integrals are equal to 0?
mattermodeling.stackexchange.com
8
What is the difference between U(1) and O(2) symmetry?
mattermodeling.stackexchange.com
8
Inversion symmetry in 2D materials
mattermodeling.stackexchange.com
6
Deleting hdf5 dataset using h5py
stackoverflow.com
6
Parse linked frequency calculations with cclib
mattermodeling.stackexchange.com
6
Codes for post-processing Gaussian cube files?
mattermodeling.stackexchange.com
6
Methods for visualising aromaticity
mattermodeling.stackexchange.com
6
Any software that could do surface hopping?
mattermodeling.stackexchange.com
5
Are there any conventions or guidelines to prepare images of molecular/crystal structures?
mattermodeling.stackexchange.com
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