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Top Questions
14
votes
What is the impact of the orientation of a molecule in cartesian coordinates to molecular properties?
molecular-modeling
computational-chemistry
spectroscopy
asked May 28, 2020 at 8:50
mattermodeling.stackexchange.com
10
votes
Incorporation of empty d-electrons of a p-block element in calculations in VASP?
vasp
electronic-structure
asked Aug 27, 2020 at 12:48
mattermodeling.stackexchange.com
Top Answers
7
How to extract lattice constants a and c from relaxed hexagonal structure using VASP?
mattermodeling.stackexchange.com
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