Deltamethrin - a polymorphed insecticide

DOI: 10.14469/hpc/8020 Metadata

Created: 2021-03-23 17:14

Last modified: 2021-03-24 09:41

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Gaussian 16 calculations

Member of collection / collaboration

DOIDescription
10.14469/hpc/177 Computation data for Henry Rzepa's blog

Members

DOIDescription
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

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