Deltamethrin - a polymorphed insecticide
DOI: 10.14469/hpc/8020 Metadata
Created: 2021-03-23 17:14
Last modified: 2021-03-24 09:41
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 calculations
Member of collection / collaboration
DOI | Description |
---|---|
10.14469/hpc/177 | Computation data for Henry Rzepa's blog |
Members
DOI | Description |
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10.14469/hpc/8018 | Deltamethrin, S,R,R G = -6278.769188 TD(nstates=100) |
10.14469/hpc/8007 | Deltamethrin, S,R,R G = -6278.769188 |
10.14469/hpc/8006 | Deltamethrin, R,R,R, G = -6278.767368 |
10.14469/hpc/7995 | Deltamethrin, cyano enol, G = -6278.739930 DG = 20.0 |
10.14469/hpc/7991 | Deltamethrin, inactive enol isomer G = -6278.718214 |
10.14469/hpc/8022 | Deltamethrin 1, wfn |
10.14469/hpc/8023 | Deltamethrin 2, wfn |