Reference (CFCl3) in solvents
DOI: 10.14469/hpc/9855 Metadata
Created: 2021-10-27 12:02
Last modified: 2022-04-26 13:22
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Calculations of CFCl3 NMR shieldings in the various solvents used in the study.
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/10394 | 3.1 - References and output files |
Members
| DOI | Description |
|---|---|
| 10.14469/hpc/8485 | o-DCB-CFCl3-wb97xd-augpvdz |
| 10.14469/hpc/8487 | Heptane-CFCl3-B3LYP-augpvdz |
| 10.14469/hpc/8486 | Heptane-CFCl3-B3LYP-def2svpp |
| 10.14469/hpc/8488 | Heptane-CFCl3-MP2-augpvdz-NMR |
| 10.14469/hpc/8489 | Heptane-CFCl3-MP2-augpvdz-opt |
| 10.14469/hpc/8490 | Heptane-CFCl3-wbx97xd-augpcSseq1 |
| 10.14469/hpc/8492 | Heptane-CFCl3-wbx97xd-def2svpp |
| 10.14469/hpc/8493 | Heptane-CFCl3-wbx97xd-augpvdz |
| 10.14469/hpc/8496 | H2O-CFCl3-B3LYP-def2svpp |
| 10.14469/hpc/8497 | H2O-CFCl3-B3LYP-augpvdz |
| 10.14469/hpc/8499 | H2O-CFCl3-MP2-augpvdz-opt |
| 10.14469/hpc/8501 | H2O-CFCl3-wb97xd-def2svpp |
| 10.14469/hpc/8502 | H2O-CFCl3-wb97xd-augpvdz |
| 10.14469/hpc/8506 | Benzene-CFCl3-MP2-augpvdz-opt |
| 10.14469/hpc/8508 | Benzene-CFCl3-wb97xd-def2svpp |
| 10.14469/hpc/8504 | Benzene-CFCl3-B3LYP-augpvdz |
| 10.14469/hpc/8505 | Benzene-CFCl3-MP2-augpvdz-NMR |
| 10.14469/hpc/8507 | Benzene-CFCl3-wb97xd-augpcSseq1 |
| 10.14469/hpc/8510 | Benzene-CFCl3-wb97xd-augpvdz |
| 10.14469/hpc/8511 | THF-CFCl3-B3LYP-def2svpp |
| 10.14469/hpc/8513 | THF-CFCl3-MP2-augpvdz-NMR |
| 10.14469/hpc/8515 | THF-CFCl3-wb97xd-augpcSseq1 |
| 10.14469/hpc/8516 | THF-CFCl3-wb97xd-def2svpp |
| 10.14469/hpc/8520 | DMSO-CFCl3-MP2-augpvdz-NMR |
| 10.14469/hpc/8524 | DMSO-CFCl3-wb97xd-augpvdz |
| 10.14469/hpc/8525 | Chloroform-CFCl3-B3LYP-def2svpp |
| 10.14469/hpc/8526 | Chloroform-CFCl3-B3LYP-augpvdz |
| 10.14469/hpc/8527 | Chloroform-CFCl3-MP2-augpvdz-NMR |
| 10.14469/hpc/8528 | Chloroform-CFCl3-MP2-augpvdz-opt |
| 10.14469/hpc/8530 | Chloroform-CFCl3-wb97xd-def2svpp |
| 10.14469/hpc/8531 | Chloroform-CFCl3-wb97xd-augpvdz |
| 10.14469/hpc/8532 | CCl4-CFCl3-B3LYP-augpvdz |
| 10.14469/hpc/8533 | CCl4-CFCl3-MP2-augpvdz-NMR |
| 10.14469/hpc/8534 | CCl4-CFCl3-MP2-augpvdz-opt |
| 10.14469/hpc/8535 | CCl4-CFCl3-wb97xd-augpcSseq1 |
| 10.14469/hpc/8536 | CCl4-CFCl3-wb97xd-def2svpp |
| 10.14469/hpc/8537 | CCl4-CFCl3-wb97xd-augpvdz |
| 10.14469/hpc/8514 | THF-CFCl3-MP2-augpvdz-opt |
| 10.14469/hpc/8519 | DMSO-CFCl3-B3LYP-augpvdz |
| 10.14469/hpc/8522 | DMSO-CFCl3-wb97xd-augpcSseq1 |
| 10.14469/hpc/8523 | DMSO-CFCl3-wb97xd-def2svpp |
| 10.14469/hpc/8529 | Chloroform-CFCl3-wb97xd-augpcSseq1 |
| 10.14469/hpc/8548 | MeOH-CFCl3-wb97xd-augpvdz |
| 10.14469/hpc/8549 | MeOH-CFCl3-wb97xd-def2svpp |
| 10.14469/hpc/8551 | MeOH-CFCl3-MP2-augpvdz-opt |
| 10.14469/hpc/8552 | MeOH-CFCl3-MP2-augpvdz-NMR |
| 10.14469/hpc/8556 | DCM-CFCl3-wb97xd-def2svpp |
| 10.14469/hpc/8558 | DCM-CFCl3-MP2-augpvdz-NMR |
| 10.14469/hpc/9905 | DCM-CFCl3-B3LYP+GD3BJ/def2svpp |
| 10.14469/hpc/9906 | DCM-CFCl3-B3LYP+GD3BJ/aug-cc-pvdz |
| 10.14469/hpc/9907 | Acetone-CFCl3-B3LYP+GD3BJ/def2svpp |
| 10.14469/hpc/9909 | MeOH-CFCl3-B3LYP+GD3BJ/def2svpp |
| 10.14469/hpc/9911 | H2O-CFCl3-B3LYP+GD3BJ/def2svpp |
| 10.14469/hpc/9908 | MeOH-CFCl3-B3LYP+GD3BJ/aug-cc-pvdz |
| 10.14469/hpc/9912 | Benzene-CFCl3-B3LYP+GD3BJ/def2svpp |
| 10.14469/hpc/9910 | H2O-CFCl3-B3LYP+GD3BJ/aug-cc-pvdz |
| 10.14469/hpc/9924 | THF-CFCl3-B3LYP+GD3BJ/Def2svpp |
| 10.14469/hpc/9925 | THF-CFCl3-B3LYP+GD3BJ/aug-cc-pvdz |
| 10.14469/hpc/9926 | DMSO-CFCl3-B3LYP+GD3BJ/aug-cc-pvdz |
| 10.14469/hpc/9927 | DMSO-CFCl3-B3LYP+GD3BJ/Def2svpp |
| 10.14469/hpc/9928 | Chloroform-CFCl3-B3LYP+GD3BJ/aug-cc-pvdz |
| 10.14469/hpc/9929 | Chloroform-CFCl3-B3LYP+GD3BJ/Def2svpp |
| 10.14469/hpc/9930 | Cyclohexane-CFCl3-B3LYP+GD3BJ/aug-cc-pvdz |
| 10.14469/hpc/9969 | CFCl3 shielding constants. |
| 10.14469/hpc/8498 | H2O-CFCl3-MP2-augpvdz-NMR |
| 10.14469/hpc/9931 | Cyclohexane-CFCl3-B3LYP+GD3BJ/Def2svpp |
| 10.14469/hpc/8500 | H2O-CFCl3-wb97xd-augpcSseq1 |
| 10.14469/hpc/8503 | Benzene-CFCl3-B3LYP-def2svpp |
| 10.14469/hpc/9932 | CCl4-CFCl3-B3LYP+GD3BJ/aug-cc-pvdz |
| 10.14469/hpc/8517 | THF-CFCl3-wb97xd-augpvdz |
| 10.14469/hpc/9933 | CCl4-CFCl3-B3LYP+GD3BJ/Def2svpp |
| 10.14469/hpc/8518 | DMSO-CFCl3-B3LYP-def2svpp |
| 10.14469/hpc/8521 | DMSO-CFCl3-MP2-augpvdz-opt |
| 10.14469/hpc/8512 | THF-CFCl3-B3LYP-augpvdz |
| 10.14469/hpc/8550 | MeOH-CFCl3-wb97xd-augpcSseq1 |
| 10.14469/hpc/8555 | DCM-CFCl3-wb97xd-augpvdz |
| 10.14469/hpc/9938 | Diethylether-CFCl3-B3LYP+GD3BJ/Def2svpp |
| 10.14469/hpc/8424 | Acetone-CFCl3-wb97xd-def2svpp |
| 10.14469/hpc/8553 | MeOH-CFCl3-b3lyp-augpvdz |
| 10.14469/hpc/8425 | Acetone-CFCl3-wb97xd-augpvdz |
| 10.14469/hpc/8554 | MeOH-CFCl3-b3lyp-def2svpp |
| 10.14469/hpc/9940 | Diethylether-CFCl3-B3LYP/Def2svpp |
| 10.14469/hpc/8426 | Acetone-CFCl3-b3lyp-augpvdz |
| 10.14469/hpc/8557 | DCM-CFCl3-MP2-augpvdz-opt |
| 10.14469/hpc/9941 | Diethylether-CFCl3-B3LYP/aug-cc-pvdz |
| 10.14469/hpc/8427 | Acetone-CFCl3-MP2-opt |
| 10.14469/hpc/8559 | DCM-CFCl3-b3lyp-augpvdz |
| 10.14469/hpc/9942 | Toluene-CFCl3-B3LYP+GD3BJ/Def2svpp |
| 10.14469/hpc/8428 | Acetone-CFCl3-MP2-NMR |
| 10.14469/hpc/8560 | DCM-CFCl3-wb97xd-augpcSseq1 |
| 10.14469/hpc/9943 | Toluene-CFCl3-B3LYP+GD3BJ/aug-cc-pvdz |
| 10.14469/hpc/8429 | Acetone-CFCl3-wb97xd-aug-pcSseq |
| 10.14469/hpc/8561 | DCM-CFCl3-b3lyp-def2svpp |
| 10.14469/hpc/8645 | Diethylether-CFCl3-B3LYP-def2svpp |
| 10.14469/hpc/9944 | DMF-CFCl3-B3LYP+GD3BJ/Def2svpp |
| 10.14469/hpc/8430 | Acetone-CFCl3-b3lyp-def2svpp |
| 10.14469/hpc/8646 | Acetone-CFCl3-B3LYP-augpvdz-GD3BJ |
| 10.14469/hpc/9945 | DMF-CFCl3-B3LYP+GD3BJ/aug-cc-pvdz |
| 10.14469/hpc/8431 | Acetonitrile-CFCl3-wb97xd-augpvdz |
| 10.14469/hpc/8647 | Acetonitrile-CFCl3-B3LYP-augpvdz-GD3BJ |
| 10.14469/hpc/9946 | n-hexane-CFCl3-B3LYP+GD3BJ/Def2svpp |
| 10.14469/hpc/8432 | Acetonitrile-CFCl3-wb97xd-def2svpp |
| 10.14469/hpc/8648 | Benzene-CFCl3-B3LYP-augpvdz-GD3BJ |
| 10.14469/hpc/9947 | n-hexane-CFCl3-B3LYP+GD3BJ/aug-cc-pvdz |
| 10.14469/hpc/8433 | Acetonitrile-CFCl3-wb97xd-augPcSseq1 |
| 10.14469/hpc/9948 | CFCl3-o-DCB-B3LYP+GD3BJ/Def2svpp |
| 10.14469/hpc/8434 | Acetonitrile-CFCl3-MP2-opt |
| 10.14469/hpc/9949 | CFCl3-o-DCB-B3LYP+GD3BJ/aug-cc-pvdz |
| 10.14469/hpc/8435 | Acetonitrile-CFCl3-MP2-NMR |
| 10.14469/hpc/9950 | CFCl3-n-heptane-B3LYP+GD3BJ/Def2svpp |
| 10.14469/hpc/8436 | Acetonitrile-CFCl3-b3lyp-augpvdz |
| 10.14469/hpc/9951 | CFCl3-n-heptane-B3LYP+GD3BJ/aug-cc-pvdz |
| 10.14469/hpc/8437 | Toluene-CFCl3-wb97xd-aug-pcSseq1 |
| 10.14469/hpc/9939 | Diethylether-CFCl3-B3LYP+GD3BJ/aug-cc-pvdz |
| 10.14469/hpc/8438 | Toluene-CFCl3-wb97xd-def2svpp |
| 10.14469/hpc/9952 | CFCl3-o-DCB-wb97xd/Def2svpp |
| 10.14469/hpc/8439 | Toluene-CFCl3-b3lyp-def2svpp |
| 10.14469/hpc/9953 | Acetonitrile-CFCl3-B3LYP+GD3BJ/Def2svpp |
| 10.14469/hpc/8440 | Toluene-CFCl3-b3lyp-augpvdz |
| 10.14469/hpc/8441 | Toluene-CFCl3-MP2-NMR |
| 10.14469/hpc/8442 | Toluene-CFCl3-MP2-opt |
| 10.14469/hpc/8443 | Toluene-CFCl3-wb97xd-augpvdz |
| 10.14469/hpc/8444 | Acetonitrile-CFCl3-b3lyp-def2svpp |
| 10.14469/hpc/8446 | Diethylether-CFCl3-wb97xd-augpvdz |
| 10.14469/hpc/8447 | Diethylether-CFCl3-wb97xd-def2svpp |
| 10.14469/hpc/8448 | Diethylether-CFCl3-wb97xd-augpcSseq1 |
| 10.14469/hpc/8449 | Diethylether-CFCl3-MP2-augpvdz-opt |
| 10.14469/hpc/8450 | Diethylether-CFCl3-MP2-augpvdz-NMR |
| 10.14469/hpc/8454 | DMF-CFCl3-wb97xd-augpvdz |
| 10.14469/hpc/8455 | DMF-CFCl3-wb97xd-def2svpp |
| 10.14469/hpc/8456 | DMF-CFCl3-B3LYP-augpvdz |
| 10.14469/hpc/8457 | DMF-CFCl3-B3LYP-def2svpp |
| 10.14469/hpc/8458 | hexane-CFCl3-wb97xd-augpvdz |
| 10.14469/hpc/8459 | hexane-CFCl3-wb97xd-def2svpp |
| 10.14469/hpc/8460 | hexane-CFCl3-wb97xd-augpcSseq1 |
| 10.14469/hpc/8461 | hexane-CFCl3-MP2-augpvdz-opt |
| 10.14469/hpc/8462 | hexane-CFCl3-MP2-augpvdz-NMR |
| 10.14469/hpc/8463 | hexane-CFCl3-B3LYP-augpvdz |
| 10.14469/hpc/8464 | hexane-CFCl3-B3LYP-def2svpp |
| 10.14469/hpc/8465 | DMF-CFCl3-wb97xd-augpcSseq1 |
| 10.14469/hpc/8466 | DMF-CFCl3-MP2-augpvdz-NMR |
| 10.14469/hpc/8467 | DMF-CFCl3-MP2-augpvdz-opt |
| 10.14469/hpc/8471 | Cyclohexane-CFCl3-B3LYP-def2svpp |
| 10.14469/hpc/8472 | Cyclohexane-CFCl3-B3LYP-augpvdz |
| 10.14469/hpc/8473 | Cyclohexane-CFCl3-MP2-augpvdz-NMR |
| 10.14469/hpc/8474 | Cyclohexane-CFCl3-MP2-augpvdz-opt |
| 10.14469/hpc/8475 | Cyclohexane-CFCl3-wb97xd-augpcSseq1 |
| 10.14469/hpc/8476 | Cyclohexane-CFCl3-wb97xd-def2svpp |
| 10.14469/hpc/8477 | Cyclohexane-CFCl3-wb97xd-augpvdz |
| 10.14469/hpc/8480 | o-DCB-CFCl3-B3LYP-augpvdz |
| 10.14469/hpc/8478 | CCl4-CFCl3-B3LYP-def2svpp |
| 10.14469/hpc/8479 | o-DCB-CFCl3-B3LYP-def2svpp |
| 10.14469/hpc/8481 | o-DCB-CFCl3-MP2-augpvdz-NMR |
| 10.14469/hpc/8482 | o-DCB-CFCl3-MP2-augpvdz-opt |
| 10.14469/hpc/8483 | o-DCB-CFCl3-wb97xd-augpcSseq1 |