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Please use this identifier to cite or link to this collection:
DOI: 10.19061/iochem-bd-6-382
This dataset derived results are published in:
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
View as
- ROOT
- CO2
- DETA
- DETA_Cs_1
- DETA_Cs_2
- DETA_Cs_3
- DETA_Cs_4
- DETA_Cs_5
- DETA_Cs_6
- DETA_Cs_7
- DETA_Cs_8
- DETA_Cs_9
- DETA_CO2_central
- DETA_CO2_central_ZW
- DETA_CO2_terminal
- DETA_CO2_terminal_ZW_H+central
- DETA_CO2_terminal_ZW_H+terminal
- HCO2H
- HCO2_-
- NH2CO2_-
- NH2Me
- NH2Me2_+
- NH3
- NH3Me_+
- NH4_+
- NHEt2
- NHEt2_C1_2
- NHEt2_C1_3
- NHEt2_C1_4
- NHEt2_C1_5
- NHEt2_C1_6
- NHEt2_Cs_1
- NHEt2_Cs_2
- NHEt2_Cs_3
- NHMe2
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Program name
- 67 Gaussian
Calculation type