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List of works by Karl Johnson

A computational study of the heats of reaction of substituted monoethanolamine with CO2

scientific article published on 21 December 2010

A first-principles study of lithium-decorated hybrid boron nitride and graphene domains for hydrogen storage

scientific article published on 01 August 2014

Accurate amorphous silica surface models from first-principles thermodynamics of surface dehydroxylation

scientific article published on 02 May 2014

Adsorption and Diffusion of Fluids in Defective Carbon Nanotubes: Insights from Molecular Simulations

scientific article

Adsorption and diffusion of carbon dioxide and nitrogen through single-walled carbon nanotube membranes

scientific article published on 01 February 2006

Adsorption of CF4 on the internal and external surfaces of opened single-walled carbon nanotubes: a vibrational spectroscopy study.

scientific article

Adsorption of gases in metal organic materials: comparison of simulations and experiments

scientific article published on 01 July 2005

Aminosilicone solvents for CO(2) capture

scientific article published on 01 August 2010

Atomic charges derived from electrostatic potentials for molecular and periodic systems

scientific article published on 01 September 2010

Combined Deep Learning and Classical Potential Approach for Modeling Diffusion in UiO-66

scientific article published on 02 June 2022

Design and evaluation of nonfluorous CO2-soluble oligomers and polymers.

scientific article published in November 2009

Designing Open Metal Sites in Metal-Organic Frameworks for Paraffin/Olefin Separations

scientific article published on 13 August 2019

Development of a ReaxFF reactive force field for tetrabutylphosphonium glycinate/CO2 mixtures

scientific article published on 06 October 2014

Development of a transferable reactive force field for cobalt.

scientific article published in May 2010

Dimensional effects on the LO-TO splitting in CF4: first-principles and infrared absorption studies.

scientific article published in March 2005

Examining the robustness of first-principles calculations for metal hydride reaction thermodynamics by detection of metastable reaction pathways

scientific article published on 08 November 2011

Experimental and theoretical comparison of gas desorption energies on metallic and semiconducting single-walled carbon nanotubes.

scientific article

First principles study of adsorption and dissociation of CO on W(111)

scientific article published on 01 January 2006

Formation of odd-numbered clusters of CO2 adsorbed on nanotube bundles

scientific article published on 28 March 2005

Gas adsorption on heterogeneous single-walled carbon nanotube bundles.

scientific article published on 3 July 2003

Identification of destabilized metal hydrides for hydrogen storage using first principles calculations.

scientific article

Igniting Nanotubes with a Flash

scientific article published on 12 July 2002

Is there a difference in van der Waals interactions between rare gas atoms adsorbed on metallic and semiconducting single-walled carbon nanotubes?

scientific article published on 26 March 2013

Large-scale screening of metal hydrides for hydrogen storage from first-principles calculations based on equilibrium reaction thermodynamics

scientific article published on 14 March 2011

Materials science. Making high-flux membranes with carbon nanotubes

scientific article (publication date: 19 May 2006)

Microporous Metal Organic Materials: Promising Candidates as Sorbents for Hydrogen Storage

article

Molecular-dynamics simulations of methane hydrate dissociation

scientific article published on 01 December 2005

Observation of a one-dimensional adsorption site on carbon nanotubes: adsorption of alkanes of different molecular lengths

scientific article published on 01 November 2005

Oxygenated hydrocarbon ionic surfactants exhibit CO2 solubility.

scientific article published in August 2005

Quantum sieving in single-walled carbon nanotubes: effect of interaction potential and rotational-translational coupling

scientific article published on 01 February 2006

Rapid transport of gases in carbon nanotubes

scientific article published on 14 October 2002

Reaction Mechanism of Monoethanolamine with CO2 in Aqueous Solution from Molecular Modeling ⬇️

scientific article published on November 4, 2010

Reaction of the Basal Plane of Graphite with the Methyl Radical.

scientific article

Shrinking Self-Interaction Errors with the Fermi-Löwdin Orbital Self-Interaction Corrected Density Functional Approximation

scientific article published on 20 November 2018

Simulation of adsorption of DNA on carbon nanotubes

scientific article published on 04 August 2007

Spectroscopic measurement of diffusion kinetics through subnanometer and larger Al2O3 particles by a new method: the interaction of 2-chloroethylethyl sulfide with gamma-Al2O3

scientific article published on 01 May 2006

Surface tension of quantum fluids from molecular simulations.

scientific article published in May 2004

The role of van der Waals interactions in the adsorption of noble gases on metal surfaces.

scientific article published on 3 October 2012

Thermal conductivity of methane hydrate from experiment and molecular simulation

scientific article published on 30 October 2007

Toward Understanding the Kinetics of CO2 Capture on Sodium Carbonate

scientific article published on 20 February 2019

Transport diffusion of gases is rapid in flexible carbon nanotubes.

scientific article published in February 2006

Unraveling Anhydrous Proton Conduction in Hydroxygraphane

scientific article published on 22 January 2019

Unusual hydrogen bonding in water-filled carbon nanotubes

scientific article published on 01 September 2006

Vibrational behavior of adsorbed CO2 on single-walled carbon nanotubes.

scientific article published in March 2004

Vibron hopping and bond anharmonicity in hot dense hydrogen

scientific article published on 01 February 2009

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