ioChem-BD Browse module - Item page
Item metadata and files
Code snippets
Metadata:
| Title: | /MDEA DES System TS1 – Imidazolate–CO₂ Transition |
| Authors: | Getman, Rachel Vicchio, Stephen Rabbani, S M Gulam Ikponmwosa, Osasumwen |
| Keywords: | Molecular dynamics Density functional Theory CO2 capture Ionic liquids Alkanolamines Deep Eutectic Solvents Chemisorption |
| Issue Date: | 21-Jul-2026 |
| Publisher: | Barcelona Supercomputing Center |
| Abstract: | Transition-state structure for CO₂ binding to the imidazolate anion and formation of the R1 imidazolate–CO₂ adduct. |
| URI: | https://iochem-bd.bsc.es/browse/handle/100/501165 |
| Appears in Collections: | CO₂ Chemisorption in Choline–Imidazolate DES - DOI: 10.19061/iochem-bd-6-686 |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/501165
Item files in Browse 
HTML5 resume (see conditions inside)