/Isolated molecules    Imidazolate

Code snippets

Actions:

View data Download geometry

Files in This Item:

File	Description	Size	Format	Retrieve
output.cml		127.33 kB	Chemical Markup Language	Download
run.com		623 B	Gaussian Input format	Download

Metadata:

Title:	/Isolated molecules Imidazolate
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:	Hydrogen bond acceptor anion
URI:	https://iochem-bd.bsc.es/browse/handle/100/501135
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/100/501135

Item files in Browse
HTML5 resume (see conditions inside)

ioChem-BD Browse module - Item page