Wb97xd/aug-pcSseq1
DOI: 10.14469/hpc/9863 Metadata
Created: 2021-10-27 13:49
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/aug-pcSseq1 level.
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/10394 | 3.1 - References and output files |
Members
| DOI | Description |
|---|---|
| 10.14469/hpc/8637 | DMSO-C6F6-wb97xd-augpcSseq1 |
| 10.14469/hpc/9285 | 1,1,1-trifluoroethane-DCM-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/9295 | 1,1,1-trifluoroethane-THF-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/8932 | C6H5F-H2O-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/8941 | Fluoromethane-Benzene-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/9304 | Fluoroform-Toluene-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/9313 | Fluoroform-THF-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/8958 | (E)-1-fluoroprop-1-ene-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/8911 | C6H5F-CCl4-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/8933 | Fluoromethane-Acetone-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/8893 | C6H5F-Benzene-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/8884 | Acetonitrile-C6H5F-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/8944 | C6H5F-Cyclohexane-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/8959 | THF-C6H5F-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/8963 | (Z)-1-fluoroprop-1-ene-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/9331 | Fluoroform-DMSO-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/9550 | p-C6H4F2-hexane-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/9558 | p-C6H4F2-heptane-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/9002 | CF3Cl-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/8982 | FCH2CN-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/8990 | 3-fluoroprop-1-ene-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/8995 | 1,2-difluoroethyne-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/9369 | Fluoroform-Acetonitrile-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/9566 | p-C6H4F2-DMF-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/9014 | Chloroform-CFCl2CFCl2-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/9571 | p-C6H4F2-Chloroform-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/9575 | p-C6H4F2-CCl4-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/9028 | DCM-CFCl2CFCl2-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/9581 | p-C6H4F2-Acetonitrile-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/9388 | p-C6H4F2-THF-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/9585 | (CF3)2CO-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/9591 | p-C6H4F2-Acetone-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/9190 | C6H5CF3-DCM-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/8576 | Dichloromethane-CF3COOH-wb97xd-augpcSseq1 |
| 10.14469/hpc/8582 | H2O-CF3COOH-wb97xd-augpcSseq1 |
| 10.14469/hpc/8587 | MeOH-CF3COOH-wb97xd-augpcSseq1 |
| 10.14469/hpc/8600 | CF4-wb97xd-aug-pcSseq1 |
| 10.14469/hpc/8572 | Acetone-CF3COOH-wb97xd-augpcSseq1 |
| 10.14469/hpc/8630 | Benzene-C6F6-wb97xd-augpcSseq1 |
| 10.14469/hpc/8623 | Acetonitrile-C6F6-wb97xd-augpcSseq1 |
| 10.14469/hpc/8616 | MeOH-C6F6-wb97xd-augpcSseq1 |
| 10.14469/hpc/8641 | THF-C6F6-wb97xd-augpcSseq1 |
| 10.14469/hpc/9200 | C6H5CF3-Chloroform-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/8957 | Fluoromethane-chloroform-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/8831 | Fluoroethane-o-DCB-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/8790 | Fluoroethane-Chloroform-wb97xd/aug-cc-pcSeq1 |
| 10.14469/hpc/9322 | Fluoroform-MeOH-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/9335 | Fluoroform-DCM-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/8870 | C6H5F-Chloroform-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/9648 | Octafluorocyclobutane-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/9631 | perfluoroprop-1-ene-Benzene-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/9634 | perfluoroprop-1-ene-Acetone/wb97xd/aug-pcSseq1 |
| 10.14469/hpc/8861 | C6H5F-DCM-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/9636 | perfluoroprop-1-ene-Diethylether-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/9229 | C6H5CF3-THF-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/9624 | 2,2,2-trifluoroacetyl fluoride-Acetone-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/8852 | C6H5F-DMSO-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/9628 | 2,2,2-trifluoroacetyl fluoride-DCM-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/9348 | Fluoroform-Acetone-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/9363 | Fluoroform-Benzene-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/9199 | C6H5CF3-DMF-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/9201 | C6H5CF3-Acetonitrile-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/8823 | Fluoroethane-diethylether-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/9605 | difluoro(phenyl)borane-Chrlorform-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/9600 | difluoro(phenyl)borane-hexan-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/9611 | CF3CCCF3-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/8838 | Fluoromethane-DMSO-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/9223 | C6H5CF3-o-DCB-wb97xd/aug-pcSseq1 |
| 10.14469/hpc/9617 | allyldifluoroborane-wb97xd/aug-pcSseq1 |