Carbon Dioxide Chemisorption by Ammonium and Phosphonium Ionic Liquids: Quantum Chemistry Calculations

Assessment of Hydrate Formation, Storage Capacity, and Transport Properties of Methane and Carbon Dioxide through Functionalized Carbon Nanotube Membranes

(2021) Majid Shahbabaei et al.   Journal of Physical Chemistry C

CO2 Capture at Medium to High Temperature Using Solid Oxide-Based Sorbents: Fundamental Aspects, Mechanistic Insights, and Recent Advances

(2021) Matthew T. Dunstan et al.   CHEMICAL REVIEWS

Toward the Proactive Design of Sustainable Chemicals: Ionic Liquids as a Prime Example

(2021) Stephan Beil et al.   CHEMICAL REVIEWS

Quantification of Ylide Formation in Phosphonium-Based Ionic Liquids Reacted with CO2

(2021) Thomas R. Gohndrone et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Techno-economic and environmental process evaluation of biogas upgrading via amine scrubbing

(2021) Renata S. Cavaignac et al.   RENEWABLE ENERGY

Overview of the Adsorption and Transport Properties of Water, Ions, Carbon Dioxide, and Methane in Swelling Clays

(2021) Arun Kumar Narayanan Nair et al.   ACS Earth and Space Chemistry

Unraveling the Origins of Strong and Reversible Chemisorption of Carbon Dioxide in a Green Metal–Organic Framework

(2021) Hanh D. M. Pham et al.   Journal of Physical Chemistry C

Computational Screening of MOFs and Zeolites for Direct Air Capture of Carbon Dioxide under Humid Conditions

(2021) John M. Findley et al.   Journal of Physical Chemistry C

Ionic Liquids and Water: Hydrophobicity vs. Hydrophilicity

(2021) Rita F. Rodrigues et al.   MOLECULES

Recent Advances in Carbon Dioxide Hydrogenation to Methanol via Heterogeneous Catalysis

(2020) Xiao Jiang et al.   CHEMICAL REVIEWS

Role of Cations in the Methane/Carbon Dioxide Partitioning in Nano- and Mesopores of Illite Using Constant Reservoir Composition Molecular Dynamics Simulation

(2020) Narasimhan Loganathan et al.   Journal of Physical Chemistry C

SciPy 1.0: fundamental algorithms for scientific computing in Python

(2020) Pauli Virtanen et al.   NATURE METHODS

Microstructural and Dynamical Heterogeneities in Ionic Liquids

(2020) Yong-Lei Wang et al.   CHEMICAL REVIEWS

Hysteresis in the MD Simulations of Differential Capacitance at the Ionic Liquid–Au Interface

(2020) Iuliia V. Voroshylova et al.   Journal of Physical Chemistry Letters

Silicon Nanocages for Selective Carbon Dioxide Conversion under Visible Light

(2019) Si Zhou et al.   Journal of Physical Chemistry C

Solubility of Water in Aprotic Heterocyclic Anion (AHA) Ionic Liquids

(2019) Gabriela M. Avelar Bonilla et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Electrochemical Reduction of Carbon Dioxide on Au Nanoparticles: An In-Situ FTIR Study

(2019) Shuai Chen et al.   Journal of Physical Chemistry C

Effect of Water on CO2 Capture by Aprotic Heterocyclic Anion (AHA) Ionic Liquids

(2019) Gabriela M. Avelar Bonilla et al.   ACS Sustainable Chemistry & Engineering

Preferential Adsorption in Ethane/Carbon Dioxide Fluid Mixtures Confined within Silica Nanopores

(2019) M. Dolores Elola et al.   Journal of Physical Chemistry C

Electronic and thermodynamic properties of the amino- and carboxamido-functionalized C-60-based fullerenes: Towards non-volatile carbon dioxide scavengers

(2018) Nadezhda A. Andreeva et al.   JOURNAL OF CHEMICAL THERMODYNAMICS

The Viscosity and Density of Ionic Liquid + Tetraglyme Mixtures and the Effect of Tetraglyme on CO2 Solubility

(2017) Joseph J. Fillion et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Amination of Five Families of Room-Temperature Ionic Liquids: Computational Thermodynamics and Vibrational Spectroscopy

(2016) Vitaly V. Chaban et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Amino-functionalized ionic liquids as carbon dioxide scavengers. Ab initio thermodynamics for chemisorption

(2016) Nadezhda A. Andreeva et al.   JOURNAL OF CHEMICAL THERMODYNAMICS

Optimization of parameters for semiempirical methods VI: more modifications to the NDDO approximations and re-optimization of parameters

(2012) James J. P. Stewart   JOURNAL OF MOLECULAR MODELING

Avogadro: an advanced semantic chemical editor, visualization, and analysis platform

(2012) Marcus D Hanwell et al.   Journal of Cheminformatics

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Gabedit-A graphical user interface for computational chemistry softwares

(2010) Abdul-Rahman Allouche   JOURNAL OF COMPUTATIONAL CHEMISTRY