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DOI: 10.19061/iochem-bd-6-214
This dataset derived results are published in:
Manuscript title: Gas permeation through mechanically resistant self-standing membranes of a neat amorphous organic cage
Journal: Chem. Eur. J.
View as
- ROOT
- B3LYP_6-31+Gd_NMR
- encapsulated_chloroform
- no_guest
- B3LYP_6-31+Gd_optimisation_frequencies
- encapsulated_chloroform
- free_chloroform
- no_guest
- M06-2X_6-31+Gd_optimisation_frequencies
- encapsulated_chloroform
- free_chloroform
- no_guest
- B3LYP_6-31+Gd_NMR
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Program name
- 99 Gaussian
Calculation type