WB97xd/def2svpp
DOI: 10.14469/hpc/9862 Metadata
Created: 2021-10-27 13:48
Last modified: 2022-04-26 13:21
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Optimizations and NMR calculations at the WB97xd/def2svpp level.
Embargo
Access code: ehm2-xk7z
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/10394 | 3.1 - References and output files |
Members
| DOI | Description |
|---|---|
| 10.14469/hpc/8636 | DMSO-C6F6-wb97xd-def2svpp |
| 10.14469/hpc/8640 | THF-C6F6-wb97xd-def2svpp |
| 10.14469/hpc/8924 | (Z)-1-fluoroprop-1-ene-wb97xd/def2svpp |
| 10.14469/hpc/8942 | C6H5F-H2O-wb97xd/def2svpp |
| 10.14469/hpc/9314 | Fluoroform-THF-wb97xd/def2svpp |
| 10.14469/hpc/8954 | Fluoromethane-Benzene-wb97xd/def2svpp |
| 10.14469/hpc/8960 | THF-C6H5F-wb97xd/def2svpp |
| 10.14469/hpc/9323 | Fluoroform-MeOH-wb97xd/def2svpp |
| 10.14469/hpc/9542 | Octafluorocyclobutane-wb97xd/def2svpp |
| 10.14469/hpc/8912 | C6H5F-CCl4-wb97xd/def2svpp |
| 10.14469/hpc/8934 | Fluoromethane-Acetone-wb97xd/def2svpp |
| 10.14469/hpc/8902 | (E)-1-fluoroprop-1-ene-wb97xd/def2svpp |
| 10.14469/hpc/8894 | C6H5F-Benzene-wb97xd/def2svpp |
| 10.14469/hpc/8885 | Acetonitrile-C6H5F-wb97xd/def2svpp |
| 10.14469/hpc/8945 | C6H5F-Cyclohexane-wb97xd/def2svpp |
| 10.14469/hpc/8974 | 1,2-difluoroethyne-wb97xd/def2svpp |
| 10.14469/hpc/9547 | 1,1,1-trifluoroethane-DCM-wb97xd/def2svpp |
| 10.14469/hpc/9551 | p-C6H4F2-hexane-wb97xd/def2svpp |
| 10.14469/hpc/9559 | p-C6H4F2-heptane-wb97xd/def2svpp |
| 10.14469/hpc/9003 | CF3Cl-wb97xd/def2svpp |
| 10.14469/hpc/8983 | FCH2CN-wb97xd/def2svpp |
| 10.14469/hpc/8991 | 3-fluoroprop-1-ene-wn97xd/def2svpp |
| 10.14469/hpc/9012 | Chloroform-CFCl2CFCl2-wb97xd/def2svpp |
| 10.14469/hpc/8777 | Fluoroethane-Chloroform-wb97xd/def2svpp |
| 10.14469/hpc/9567 | p-C6H4F2-DMF-wb97xd/def2svpp |
| 10.14469/hpc/9168 | C6H5CF3-THF-wb97xd/def2svpp |
| 10.14469/hpc/9572 | p-C6H4F2-Chloroform-wb97xd/def2svpp |
| 10.14469/hpc/9021 | DCM-CFCl2CFCl2-wb97xd/def2svpp |
| 10.14469/hpc/9174 | C6H5CF3-Acetonitrile-wb97xd/def2svpp |
| 10.14469/hpc/8787 | 2-fluoro-2-methylpropane-wb97xd/def2svpp |
| 10.14469/hpc/9576 | p-C6H4F2-CCl4-wb97xd/def2svpp |
| 10.14469/hpc/9584 | p-C6H4F2-Acetone-wb97xd/def2svpp |
| 10.14469/hpc/9182 | C6H5CF3-Chloroform-wb97xd/def2svpp |
| 10.14469/hpc/9392 | p-C6H4F2-THF-wb97xd/def2svpp |
| 10.14469/hpc/9885 | CF3CCCF3-wb97xd/def2svpp |
| 10.14469/hpc/9191 | C6H5CF3-DCM-wb97xd/def2svpp |
| 10.14469/hpc/8575 | Dichloromethane-CF3COOH-wb97xd-def2svpp |
| 10.14469/hpc/8581 | H2O-CF3COOH-wb97xd-def2svpp |
| 10.14469/hpc/8594 | MeOH-CF3COOH-wb97xd-def2svpp |
| 10.14469/hpc/8595 | CF4-wb97xd-def2svpp |
| 10.14469/hpc/8571 | Acetone-CF3COOH-wb97xd-def2svpp |
| 10.14469/hpc/8605 | Acetonitrile-C6F6-wb97xd-def2svpp |
| 10.14469/hpc/8629 | Benzene-C6F6-wb97xd-def2svpp |
| 10.14469/hpc/8621 | MeOH-C6F6-wb97xd-def2svpp |
| 10.14469/hpc/8830 | Fluoroethane-o-DCB-wb97xd/def2svpp |
| 10.14469/hpc/9296 | 1,1,1-trifluoroethane-THF-wb97xd/def2svpp |
| 10.14469/hpc/9305 | Fluoroform-Toluene-wb97xd/def2svpp |
| 10.14469/hpc/9587 | (CF3)2CO-wb97xd/def2svpp |
| 10.14469/hpc/9641 | 2,2,2-trifluoroacetyl fluoride-DCM-wb97xd/def2svpp |
| 10.14469/hpc/9644 | perfluoroprop-1-ene-Acetone/wb97xd/def2svpp |
| 10.14469/hpc/8871 | C6H5F-Chloroform-wb97xd/def2svpp |
| 10.14469/hpc/8862 | C6H5F-DCM-wb97xd/def2svpp |
| 10.14469/hpc/9625 | 2,2,2-trifluoroacetyl fluoride-Acetone-wb97xd/def2svpp |
| 10.14469/hpc/8853 | C6H5F-DMSO-wb97xd/def2svpp |
| 10.14469/hpc/9352 | Fluoroform-Acetonitrile-wb97xd/def2svpp |
| 10.14469/hpc/9338 | Fluoroform-DCM-wb97xd/def2svpp |
| 10.14469/hpc/9364 | Fluoroform-Benzene-wb97xd/def2svpp |
| 10.14469/hpc/9356 | Fluoroform-DMSO-wb97xd/def2svpp |
| 10.14469/hpc/9347 | Fluoroform-Acetone-wb97xd/def2svpp |
| 10.14469/hpc/8821 | Fluoroethane-diethylether-wb97xd/def2svpp |
| 10.14469/hpc/9597 | p-C6H4F2-Acetonitrile-wb97xd/def2svpp |
| 10.14469/hpc/9411 | perfluoroprop-1-ene-Benzene-wb97xd/def2svpp |
| 10.14469/hpc/9606 | difluoro(phenyl)borane-Chrlorform-wb97xd/def2svpp |
| 10.14469/hpc/9407 | perfluoroprop-1-ene-Diethylether-wb97xd/def2svpp |
| 10.14469/hpc/9601 | difluoro(phenyl)borane-hexan-wb97xd/def2svpp |
| 10.14469/hpc/9215 | C6H5CF3-DMF-wb97xd/def2svpp |
| 10.14469/hpc/8839 | Fluoromethane-DMSO-wb97xd/def2svpp |
| 10.14469/hpc/9416 | allyldifluoroborane-wb97xd/def2svpp |
| 10.14469/hpc/9224 | C6H5CF3-o-DCB-wb97xd/def2svpp |
| 10.14469/hpc/8845 | Fluoromethane-chloroform-wb97xd/def2svpp |