Mechanisms of CO2 capture in ionic liquids: a computational perspective

CO2 absorption studies in amino acid-anion based ionic liquids

(2015) Yamini Sudha Sistla et al.   CHEMICAL ENGINEERING JOURNAL

CO2 Capture in Wet and Dry Superbase Ionic Liquids

(2015) S. F. Rebecca Taylor et al.   JOURNAL OF SOLUTION CHEMISTRY

The addition of CO2 to four superbase ionic liquids: a DFT study

(2015) Maxime Mercy et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Chemically Tunable Ionic Liquids with Aprotic Heterocyclic Anion (AHA) for CO2 Capture

(2014) Samuel Seo et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Performance of M06, M06-2X, and M06-HF Density Functionals for Conformationally Flexible Anionic Clusters: M06 Functionals Perform Better than B3LYP for a Model System with Dispersion and Ionic Hydrogen-Bonding Interactions

(2013) Martin Walker et al.   JOURNAL OF PHYSICAL CHEMISTRY A

First-principles-guided design of ionic liquids for CO2 capture

(2012) Chao Wu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Tuning the Basicity of Ionic Liquids for Equimolar CO2 Capture

(2011) Congmin Wang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Ditetraalkylammonium Amino Acid Ionic Liquids as CO2Absorbents of High Capacity

(2011) Jing-wen Ma et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Multiwfn: A multifunctional wavefunction analyzer

(2011) Tian Lu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Carbon Dioxide Capture by Superbase-Derived Protic Ionic Liquids

(2010) Congmin Wang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Experimental Measurements of Amine-Functionalized Anion-Tethered Ionic Liquids with Carbon Dioxide

(2010) Brett F. Goodrich et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Equimolar CO2Absorption by Anion-Functionalized Ionic Liquids

(2010) Burcu E. Gurkan et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Ion-Pair Binding Energies of Ionic Liquids: Can DFT Compete with Ab Initio-Based Methods?

(2009) Ekaterina I. Izgorodina et al.   JOURNAL OF PHYSICAL CHEMISTRY A