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Felix

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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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