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1 to 10 of 415 Results
Genomic Distortion of Jawed Vertebrate Phylogeny
Sep 24, 2026 - Data for: Genomic Distortion of Jawed Vertebrate Phylogeny
Brownstein, Chase, 2026, "Genomic Distortion of Jawed Vertebrate Phylogeny", https://doi.org/10.60600/YU/YL2LSZ, Yale Dataverse, V2, UNF:6:WwN5lD3oH1D4Pb4ov2ov+A== [fileUNF]
Description of the data and file structure Data analyzed in this paper were exon sequences extracted from published genomes on GenBank or from the exonic dataset provided in the following paper: Hughes, L.C., Ortí, G., Huang, Y., Sun, Y., Baldwin, C.C., Thompson, A.W., Arcila, D., Betancur-R, R., Li, C., Becker, L. and Bellora, N., 2018. Comprehens...
Weather sensitivity to sea surface temperatures over the contiguous United States in a medium ensemble of high-resolution regionally refined simulations using E3SM
Sep 23, 2026 - S. Hun Baek Dataverse
Baek, S. Hun, 2026, "Weather sensitivity to sea surface temperatures over the contiguous United States in a medium ensemble of high-resolution regionally refined simulations using E3SM", https://doi.org/10.60600/YU/2QCRJL, Yale Dataverse, V1
This dataset provides synthetic sea surface temperature (SST) forcing data for the E3SM simulations, and precipitation (PRECT) and daily maximum near-surface air temperature (TREFHTMX) outputs for the simulations. Tropical cyclone data required to recreate the figures in the study are also provided. For an in-depth description of the model simulati...
S. Hun Baek Dataverse(Yale University)
Sep 23, 2026
ωB97X-D-computed HOMO-LUMO energy gaps for curated NMRShiftDB2 molecules: files 0-1,000
Sep 15, 2026 - Data for: Using NMR to predict molecular reactivity
Muellers, Tobias, 2026, "ωB97X-D-computed HOMO-LUMO energy gaps for curated NMRShiftDB2 molecules: files 0-1,000", https://doi.org/10.60600/YU/AAJPLH, Yale Dataverse, V1
.log files for completed DFT calculations using the ωB97X-D functional and def2svp basis set58 as implemented in Gaussian 16: files 0-1,000
ωB97X-D-computed HOMO-LUMO energy gaps for curated NMRShiftDB2 molecules: files 1,000-2,000
Sep 15, 2026 - Data for: Using NMR to predict molecular reactivity
Muellers, Tobias, 2026, "ωB97X-D-computed HOMO-LUMO energy gaps for curated NMRShiftDB2 molecules: files 1,000-2,000", https://doi.org/10.60600/YU/JO6GQT, Yale Dataverse, V1
.log files for completed DFT calculations using the ωB97X-D functional and def2svp basis set58 as implemented in Gaussian 16: files 1,000-2,000
ωB97X-D-computed HOMO-LUMO energy gaps for curated NMRShiftDB2 molecules: files 2,000-3,000
Sep 15, 2026 - Data for: Using NMR to predict molecular reactivity
Muellers, Tobias, 2026, "ωB97X-D-computed HOMO-LUMO energy gaps for curated NMRShiftDB2 molecules: files 2,000-3,000", https://doi.org/10.60600/YU/0ZBQUE, Yale Dataverse, V1
.log files for completed DFT calculations using the ωB97X-D functional and def2svp basis set58 as implemented in Gaussian 16: files 2,000-3,000
ωB97X-D-computed HOMO-LUMO energy gaps for curated NMRShiftDB2 molecules: files 3,000-3,636
Sep 15, 2026 - Data for: Using NMR to predict molecular reactivity
Muellers, Tobias, 2026, "ωB97X-D-computed HOMO-LUMO energy gaps for curated NMRShiftDB2 molecules: files 3,000-3,636", https://doi.org/10.60600/YU/AESWHY, Yale Dataverse, V1
.log files for completed DFT calculations using the ωB97X-D functional and def2svp basis set58 as implemented in Gaussian 16: files 3,000-3,636
Experimental NMR chemical shifts from Kuhn S. and Schlörer, N. E (2015)
Sep 15, 2026 - Data for: Using NMR to predict molecular reactivity
Muellers, Tobias, 2026, "Experimental NMR chemical shifts from Kuhn S. and Schlörer, N. E (2015)", https://doi.org/10.60600/YU/LAF3FO, Yale Dataverse, V1
This entry points to the dataset used to obtain experimental NMR chemical shifts: https://sourceforge.net/projects/nmrshiftdb2/files/data/
NMR shielding tensors for QM9-NMR dataset from Gupta, A. et al. (2021)
Sep 15, 2026 - Data for: Using NMR to predict molecular reactivity
Muellers, Tobias, 2026, "NMR shielding tensors for QM9-NMR dataset from Gupta, A. et al. (2021)", https://doi.org/10.60600/YU/F7RZYL, Yale Dataverse, V1
This entry points to the dataset used to obtain QM9 NMR shielding tensors: https://moldis-group.github.io/qm9nmr/
QM9 HOMO-LUMO energy gaps from Ramakrishnan, R. et al. (2014)
Sep 15, 2026 - Data for: Using NMR to predict molecular reactivity
Muellers, Tobias, 2026, "QM9 HOMO-LUMO energy gaps from Ramakrishnan, R. et al. (2014)", https://doi.org/10.60600/YU/LG4T8K, Yale Dataverse, V1
This entry points to the dataset used to obtain QM9 HOMO-LUMO energy gaps: https://doi.org/10.6084/m9.figshare.978904
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