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Results tagged with theoretical-chemistry
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user 321
For questions seeking answers deduced from or composed of theories regarding the chemical substances and about models and methods of theoretical chemistry.
-2
votes
Z-matrix of a series of 5 colinear atoms
You can use SMILES in Avogadro or openbabel and it produces 3D coordinates that
you can edit. And you can create Gaussian, NWChem, gamess... inputs.
- 7