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Manuscript title: Survey of Carbon Dioxide Capture in Phosphonium-Based Ionic Liquids and End-Capped Polyethylene Glycol Using DETA (DETA = Diethylenetriamine) as a Model Absorbent
Journal: Ind. Eng. Chem. Res.
DOI: 10.1021/ie101734h
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Pye, Cory | - |
| dc.coverage.spatial | ES Barcelona | - |
| dc.date.accessioned | 2024-07-08T01:39:36Z | - |
| dc.date.available | 2024-07-08T01:39:36Z | - |
| dc.date.created | 2024-07-08T03:39:34.134205+02:00 | - |
| dc.date.issued | 2024-07-08T03:39:34.134205+02:00 | - |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/322333 | - |
| dc.description | DETA CO2 adduct, terminal nitrogen zwitterion. Terminal protonation. CPCM/HF/STO-3G opt part | - |
| dc.publisher | Saint Mary's University | - |
| dc.relation | Original title: Survey of Carbon Dioxide Capture in Phosphonium-Based Ionic Liquids and End-Capped Polyethylene Glycol Using DETA (DETA = Diethylenetriamine) as a Model Absorbent DOI: 10.1021/ie101734h Journal: Ind. Eng. Chem. Res. | - |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-6-382 | - |
| dc.relation.uri | http://dx.doi.org/10.1021/ie101734h | - |
| dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2024 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | /DETA_CO2_terminal_ZW_H+terminal DETA_CO2_terminal_ZW_H+terminal_5 | - |
| dc.type | dataset | - |
| dc.date.updated | 2024-07-08T01:39:36Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 03 | en |
| cml.program.other | AM64L-G03RevD.02 | en |
| cml.spintype | Restricted | en |
| cml.energy.value | -503.406107053 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C5H13N3O2 | en |
| cml.calculationtype | Single point Structure | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | DETA - DOI: 10.19061/iochem-bd-6-382 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/322333
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