J. Johnson

发表

Cavity correlation and bridge functions at high density and near the critical point: a test of second-order Percus–Yevick theory

Walter G Chapman, J. Johnson, D. Henderson, 2016 .

Adsorbed Gases in Bundles of Carbon Nanotubes: Theory and Simulation

M. W. Cole, J. Johnson, M. M. Calbi, 2008 .

Wetting transitions of hydrogen and deuterium on the surface of alkali metals

M. W. Cole, J. Johnson, Wei Shi, 2003 .

Rapid transport of gases in carbon nanotubes.

D. Sholl, J. Johnson, A. Skoulidas, 2002, Physical review letters.

Fermi-Löwdin orbital self-interaction correction of adsorption energies on transition metal ions.

J. Perdew, J. Peralta, J. Johnson, 2022, The Journal of chemical physics.

Hydrogen adsorption on graphite and in carbon slit pores from path integral simulations

Qinyu Wang, J. Johnson, 1998 .

An accurate H2–H2 interaction potential from first principles

J. Johnson, Phong Diep, J. Johnson, 2000 .

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

J. Peralta, J. Johnson, K. Jackson, 2018, The journal of physical chemistry. A.

Hydrogen Adsorption in Single-Walled Carbon Nanotubes

M. W. Cole, J. Johnson, 2008 .

TiH2 as a Dynamic Additive for Improving the De/Rehydrogenation Properties of MgH2: A Combined Experimental and Theoretical Mechanistic Investigation

A. Bhatnagar, M. Shaz, O. Srivastava, 2018, The Journal of Physical Chemistry C.

Progress, Opportunities, and Challenges for Applying Atomically Detailed Modeling to Molecular Adsorption and Transport in Metal−Organic Framework Materials

David S. Sholl, Seda Keskin, Rees B Rankin, 2009 .

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

J. Yates, J. Johnson, W. Yim, 2004, The Journal of chemical physics.

Utilizing the Gate-Opening Mechanism in ZIF-7 for Adsorption Discrimination between N2O and CO2

R. Krishna, Yijun Zhong, Weidong Zhu, 2014 .

Polysulfone and functionalized carbon nanotube mixed matrix membranes for gas separation: Theory and experiment

Sangil Kim, J. Johnson, E. Marand, 2007 .

Optimization of Carbon Nanotube Arrays for Hydrogen Adsorption

J. Karl Johnson, Qinyu Wang and, J. Johnson, 1999 .

Quantum Sieving in Carbon Nanotubes and Zeolites

David S. Sholl, Sivakumar R. Challa, D. Sholl, 1999 .

MOLECULAR SIMULATION OF HYDROGEN ADSORPTION IN SINGLE-WALLED CARBON NANOTUBES AND IDEALIZED CARBON SLIT PORES

J. Johnson, Qinyu Wang, J. Johnson, 1999 .

Beyond Ordered Materials: Understanding Catalytic Sites on Amorphous Solids

B. Goldsmith, B. Peters, B. Gates, 2017 .

Theory of Gas Adsorption in Carbon Nanostructures

M. W. Cole, V. Crespi, J. Johnson, 2003 .

Zwitterion functionalized carbon nanotube/polyamide nanocomposite membranes for water desalination.

Xiaohong Shao, Michael G. Taylor, J. Karl Johnson, 2013, ACS nano.

Density functional theory calculations of the surface structure of the inverse spinel zinc orthotitanate

Rees B Rankin, D. Sholl, J. Johnson, 2008, Journal of Physics: Condensed Matter.

First-Principles Investigation of Adsorption and Dissociation of Hydrogen on Mg2Si Surfaces

D. Sholl, J. Johnson, Bing Dai, 2007 .

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

Siddarth K. Achar, Linfeng Zhang, J. Johnson, 2022, Journal of chemical theory and computation.

Efficiently Trained Deep Learning Potential for Graphane

Siddarth K. Achar, Linfeng Zhang, J. Karl Johnson, 2021, Journal of Physical Chemistry C.

First-Principles Characterization of Amorphous Phases of MB12H12, M = Mg, Ca

D. Sholl, Duane D. Johnson, Lin‐Lin Wang, 2010 .

Gas adsorption on heterogeneous single-walled carbon nanotube bundles.

Wei Shi, J. Johnson, 2003, Physical review letters.

Chemical Activation of Single-Walled Carbon Nanotubes for Hydrogen Adsorption

J. Johnson, B. Bockrath, Milton R. Smith, 2003 .

Highly efficient methane decomposition to H2 and CO2 reduction to CO via redox looping of Ca2FexAl2-xO5 supported NiyFe3-yO4 nanoparticles

M. Fan, Xiaoping Chen, W. Xiang, 2020 .

Trapped CO2 in Carbon Nanotube Bundles

Christopher Matranga, J. Johnson, B. Bockrath, 2003 .

How Do Self-Interaction Errors Associated with Stretched Bonds Affect Barrier Height Predictions?

K. Jackson, T. Baruah, R. Zope, 2023, The journal of physical chemistry. A.

Study of self-interaction-errors in barrier heights using locally scaled and Perdew-Zunger self-interaction methods.

P. Mishra, J. Johnson, K. Jackson, 2021, The Journal of chemical physics.

Predicting catalyst-support interactions between metal nanoparticles and amorphous silica supports

D. Lambrecht, J. J. McCarthy, G. Veser, 2016 .

Effect of Support Preparation and Nanoparticle Size on Catalyst–Support Interactions between Pt and Amorphous Silica

D. Lambrecht, J. J. McCarthy, G. Veser, 2015 .

Structural and Electronic Properties of Pt13 Nanoclusters on Amorphous Silica Supports

E. Weiss, D. Lambrecht, M. Hartmann, 2015 .

First principles study of vacancy and tungsten diffusion in fcc cobalt

J. Johnson, Liang Chen, M. Labrosse, 2009 .

Impact of defects on the decomposition of chemical warfare agent simulants in Zr‐based metal organic frameworks

Minh Nguyen Vo, Jonathan P. Ruffley, J. Johnson, 2021 .

Design, Synthesis, and Characterization of Metal–Organic Frameworks for Enhanced Sorption of Chemical Warfare Agent Simulants

Nathaniel L. Rosi, Tian-Yi Luo, E. Borguet, 2019, The Journal of Physical Chemistry C.

Molecular simulation of xenon adsorption on single-walled carbon nanotubes

J. Yates, V. Simonyan, A. Kuznetsova, 2001 .

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

J. Yates, Yang Wang, P. Kondratyuk, 2005, The journal of physical chemistry. B.

Atomic charges derived from electrostatic potentials for molecular and periodic systems.

De-Li Chen, Brian Space, De-Li Chen, 2010, The journal of physical chemistry. A.

Methyl Radical Reactivity on the Basal Plane of Graphite

J. Yates, Pabitra Choudhury, Lynn Mandeltort, 2012 .

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

D. Sholl, Ki Chul Kim, A. Kulkarni, 2011, Physical chemistry chemical physics : PCCP.

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

Hong-Bin Xie, R. Perry, J Karl Johnson, 2011, The journal of physical chemistry. A.

Microporous metal organic materials: promising candidates as sorbents for hydrogen storage.

J. Johnson, B. Bockrath, Jing Li, 2004, Journal of the American Chemical Society.

Development of a transferable reactive force field for cobalt.

A. V. van Duin, Adri C T van Duin, J Karl Johnson, 2010, The journal of physical chemistry. A.

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

D. Sholl, Ki Chul Kim, J. Johnson, 2011, Physical chemistry chemical physics : PCCP.

Reaction mechanism of monoethanolamine with CO₂ in aqueous solution from molecular modeling.

Yingkai Zhang, Hong-Bin Xie, Yingkai Zhang, 2010, The journal of physical chemistry. A.

CO2 capture properties of M―C―O―H (M=Li, Na, K) systems: A combined density functional theory and lattice phonon dynamics study

B. Zhang, Y. Duan, D. Sorescu, 2011 .

Synthesis and Evaluation of CO2 Thickeners Designed with Molecular Modeling

E. Beckman, J. Johnson, R. Enick, 2009 .

Molecular-dynamics simulations of methane hydrate dissociation.

N. English, C. Taylor, J. Johnson, 2005, The Journal of chemical physics.

Ozone Oxidation of Single Walled Carbon Nanotubes from Density Functional Theory

W. Yim, J. Johnson, 2009 .

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

Benjamin J. Bucior, De-Li Chen, G. Kolmakov, 2017, Langmuir : the ACS journal of surfaces and colloids.

Phase Behavior of Oxygen-Containing Polymers in CO2

E. Beckman, J. Johnson, R. Enick, 2007 .

The Lennard-Jones equation of state revisited

John A. Zollweg, Keith E. Gubbins, J. Karl Johnson, 1993 .

Impact of Support Interactions for Single-Atom Molybdenum Catalysts on Amorphous Silica

J. Johnson, D. Lambrecht, Abhishek Bagusetty, 2016 .

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

S. Bhavsar, J. J. McCarthy, G. Veser, 2014, Langmuir : the ACS journal of surfaces and colloids.

Vacancy clusters as entry ports for cesium intercalation in graphite

J. Yates, Pabitra Choudhury, M. Büttner, 2011 .

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

J. Yates, Pabitra Choudhury, Lynn Mandeltort, 2012, The journal of physical chemistry letters.

Layering and orientational ordering of propane on graphite: An experimental and simulation study

J. Johnson, R. Vidic, Xiongce Zhao, 2002 .

Equation of State for Lennard-Jones Chains

K. Gubbins, J. Johnson, Erich A. Mueller, 1994 .

Application of Self-Interaction Corrected Density Functional Theory to Early, Middle, and Late Transition States.

J. Johnson, K. Jackson, K. Trepte, 2020, The journal of physical chemistry. A.

Phase equilibria for associating Lennard-Jones fluids from theory and simulation

K. Gubbins, J. Johnson, J. Johnson, 1992 .

Unraveling Anhydrous Proton Conduction in Hydroxygraphane.

Abhishek Bagusetty, J. Johnson, 2019, The journal of physical chemistry letters.

Hydrogen isotope separation in carbon nanotubes: calculation of coupled rotational and translational States at high densities.

J. Johnson, G. Garberoglio, J. Johnson, 2010, ACS nano.

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

G. Garberoglio, J. Johnson, Michael M DeKlavon, 2006, The journal of physical chemistry. B.

Light isotope separation in carbon nanotubes through quantum molecular sieving

David S. Sholl, Sivakumar R. Challa, J. Karl Johnson, 2001 .

Impact of Loading-Dependent Intrinsic Framework Flexibility on Adsorption in UiO-66

J. Johnson, Priyanka B. Shukla, J. Johnson, 2022, The Journal of Physical Chemistry C.

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

J. Yates, Liang Chen, Scott Forth, 2003, Journal of the American Chemical Society.

Many-body interactions among adsorbed atoms and molecules within carbon nanotubes and in free space

M. W. Cole, J. Johnson, Phong Diep, 2000, cond-mat/0007034.

An interatomic potential for mercury dimer

Lindsey J. Munro, K. Jordan, J. Johnson, 2001 .

Porous Carbon Nanotube Membranes for Separation of H2/CH4 and CO2/CH4 Mixtures

Benjamin J. Bucior, De-Li Chen, Jinchen Liu, 2012 .

Molecular Simulations and Theoretical Predictions for Adsorption and Diffusion of CH4/H2 and CO2/CH4 Mixtures in ZIFs

D. Sholl, Seda Keskin, Jinchen Liu, 2011 .

Understanding and Improving the Kinetics of Bulk Carbonation on Sodium Carbonate

Xiaoping Chen, Jiliang Ma, Daoyin Liu, 2020 .

Adsorption and Diffusion of Light Gases in ZIF-68 and ZIF-70: A Simulation Study

Rees B Rankin, J. Johnson, A. Kulkarni, 2009 .

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

J. Johnson, G. Garberoglio, A. Skoulidas, 2005, The journal of physical chemistry. B.

Thermal conductivity of methane hydrate from experiment and molecular simulation.

E. Rosenbaum, N. English, D. Shaw, 2007, The journal of physical chemistry. B.

H2/CO2 separations in multicomponent metal-adeninate MOFs with multiple chemically distinct pore environments†

Yahui Yang, J. Johnson, Nathaniel L. Rosi, 2020, Chemical science.

Effect of Grafted Lewis Base Groups on the Phase Behavior of Model Poly(dimethyl siloxanes) in CO2

E. Beckman, J. Johnson, R. Enick, 2003 .

First principles screening of destabilized metal hydrides for high capacity H2 storage using scandium

D. Sholl, Sudhakar V. Alapati, J. Johnson, 2007 .

The effect of topology in Lewis pair functionalized metal organic frameworks on CO2 adsorption and hydrogenation

Jingyun Ye, Lin Li, J. Johnson, 2018 .

Tests of Pore-Size Distributions Deduced from Inversion of Simulated and Real Adsorption Data

M. W. Cole, J. Jagiello, Kevin E Bancroft, 2009 .

Experimental and Theoretical Studies of Gas Adsorption in Cu3(BTC)2: An Effective Activation Procedure

J. Johnson, B. Bockrath, J. Culp, 2007 .

Quantum chemistry benchmarking of binding and selectivity for lanthanide extractants

J. Keith, J. Johnson, Minh Nguyen Vo, 2018 .

Molecular simulation of hydrogen adsorption in charged single-walled carbon nanotubes

V. Simonyan, J. Johnson, Phong Diep, 1999 .

Making High-Flux Membranes with Carbon Nanotubes

David S. Sholl, J. Karl Johnson, D. Sholl, 2006, Science.

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

D. Sholl, A. Skoulidas, J. Johnson, 2006, The Journal of chemical physics.

Transport diffusion of gases is rapid in flexible carbon nanotubes.

D. Sholl, Haibin Chen, J. Johnson, 2006, The journal of physical chemistry. B.

Aminosilicone solvents for CO(2) capture.

M. J. O'brien, Deepak Tapriyal, G. Soloveichik, 2010, ChemSusChem.

Modeling of Diffusion of Acetone in UiO-66

C. Wilmer, Prasenjit Das, J. Johnson, 2020, The Journal of Physical Chemistry C.

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

Yahui Yang, J. Johnson, Nathaniel L. Rosi, 2019, Journal of the American Chemical Society.

Histogram reweighting and finite-size scaling study of the Lennard–Jones fluids

Wei Shi, J. Karl Johnson, J. Johnson, 2001 .

Methyl Chloride Reactions on Lithiated Carbon Nanotubes: Lithium as Both Reactant and Catalyst

J. Johnson, Pabitra Choudhury, J. Johnson, 2011 .

Unusual hydrogen bonding in water-filled carbon nanotubes.

Yang Wang, John T Yates, Wai-Leung Yim, 2006, Journal of the American Chemical Society.

Systematic modulation and enhancement of CO2 : N2 selectivity and water stability in an isoreticular series of bio-MOF-11 analogues

J. Johnson, Nathaniel L. Rosi, De-Li Chen, 2013 .

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

M. W. Cole, J. Yates, De-Li Chen, 2013, Journal of the American Chemical Society.

Adsorption and diffusion of hydrogen in a new metal-organic framework material: [Zn(bdc)(ted)0.5]

L. Pan, S. Simizu, R. Obermyer, 2008 .

Path integral grand canonical Monte Carlo

Qinyu Wang, J. Broughton, J. Johnson, 1997 .

Binding of CO and O on Low-Symmetry Pt Clusters Supported on Amorphous Silica

L. Luciani, Fan Yang, Stefanos Papadopoulos, 2021, The Journal of Physical Chemistry C.

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

David S Sholl, D. Sholl, J. Johnson, 2006, The journal of physical chemistry. B.

Thermal Dehydration and Vibrational Spectra of Hydrated Sodium Metaborates

M. Matthews, H. Marsh, W. Al-Saidi, 2011 .

A Combined Experimental and Computational Study on Selected Physical Properties of Aminosilicones

M. J. O'brien, R. Enick, De-Li Chen, 2014 .

Solubility of CO2 in CO2-philic oligomers; COSMOtherm predictions and experimental results

D. Luebke, J. Johnson, R. Enick, 2009 .

Effect of Chain Length on the Dipole Moment of Polyisobutylene Succinate Anhydride

Michael L. Call, J. Johnson, Minh Nguyen Vo, 2022, Industrial & Engineering Chemistry Research.

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

J. Yates, J. Johnson, W. Yim, 2005, Journal of the American Chemical Society.

Surface tension of quantum fluids from molecular simulations.

C. E. Rasmussen, J. Johnson, Xiongce Zhao, 2004, The Journal of chemical physics.

Molar excess volumes of liquid hydrogen and neon mixtures from path integral simulation

Sivakumar R. Challa, J. Johnson, J. Johnson, 1999 .

Phase equilibrium of quantum fluids from simulation: Hydrogen and neon

J. Johnson, Qinyu Wang, J. Johnson, 1997 .

Computer Simulation Studies of Adsorption of Simple Gases on Alkali Metal Surfaces

M. W. Cole, W. Steele, J. Johnson, 1998 .

Reactive canonical Monte Carlo : a new simulation technique for reacting or associating fluids

K. Gubbins, A. Panagiotopoulos, J. Johnson, 1994 .

Elucidation of aqueous solvent-mediated hydrogen-transfer reactions by ab initio molecular dynamics and nudged elastic-band studies of NaBH4 hydrolysis

G. Henkelman, J. Keith, J. Johnson, 2014 .

Vibron hopping and bond anharmonicity in hot dense hydrogen.

R. Hemley, J. Johnson, J. Feldman, 2009, The Journal of chemical physics.

Catalytic hydrogenation of CO2 to methanol in a Lewis pair functionalized MOF

J. Johnson, Jingyun Ye, J. Johnson, 2016 .

Screening Lewis Pair Moieties for Catalytic Hydrogenation of CO2 in Functionalized UiO-66

Jingyun Ye, J. Johnson, J. Karl Johnson, 2015 .

Design of Lewis Pair-Functionalized Metal Organic Frameworks for CO2 Hydrogenation

Jingyun Ye, J. Johnson, J. Karl Johnson, 2015 .

The importance of charge–quadrupole interactions for H2 adsorption and diffusion in CuBTC

Rees B Rankin, Jinchen Liu, J. Johnson, 2009 .

Screening the activity of Lewis pairs for hydrogenation of CO2

Jingyun Ye, Benjamin Yeh, J. Johnson, 2017 .

Simulation of adsorption of DNA on carbon nanotubes.

Xiongce Zhao, Xiongce Zhao, J Karl Johnson, 2007, Journal of the American Chemical Society.

First-Principles Study of Experimental and Hypothetical Mg(BH4)2 Crystal Structures

D. Sholl, J. Johnson, Bing Dai, 2008 .

Au13: CO Adsorbs, Nanoparticle Responds

J. Johnson, Giannis Mpourmpakis, N. Austin, 2015 .

Graphamine: Amine-Functionalized Graphane for Intrinsic Anhydrous Proton Conduction

Abhishek Bagusetty, Joshua L. Livingston, Joshua Livingston, 2018, The Journal of Physical Chemistry C.

Facile Anhydrous Proton Transport on Hydroxyl Functionalized Graphane.

Pabitra Choudhury, Abhishek Bagusetty, Bridget Derksen, 2017, Physical review letters.

Surface reactions of AsH3, H2Se, and H2S on the Zn2TiO4(010) surface

Rees B Rankin, D. Sholl, Shiqiang Hao, 2011 .

Phase transitions of adsorbed fluids computed from multiple-histogram reweighting

J. Johnson, Xiongce Zhao, Wei Shi, 2002 .

Effect of confinement by porous materials on chemical reaction kinetics

K. Gubbins, J. Brennan, C. Turner, 2002 .

Effect of confinement on chemical reaction equilibria: The reactions 2NO⇔(NO)2 and N2+3H2⇔2NH3 in carbon micropores

K. Gubbins, C. Turner, J. Johnson, 2001 .

Characterization of Bulk Structure in Zinc Orthotitanate: A Density Functional Theory and EXAFS Investigation

Rees B Rankin, D. Sholl, J. Spivey, 2008 .

Effects of an external electromagnetic field on rutile Tio2: A molecular dynamics study

D. Sorescu, N. English, J. Johnson, 2006 .

Reactive Canonical Monte Carlo

J. K. Johnson, J. Johnson, 2007 .

Adsorption and separation of hydrogen isotopes in carbon nanotubes: Multicomponent grand canonical Monte Carlo simulations

David S. Sholl, Sivakumar R. Challa, J. Karl Johnson, 2002 .

Prediction of CH4/H2 Mixture Selectivity in Zn(tbip) from Computer Simulations

J. Johnson, Jinchen Liu, J. Johnson, 2009 .

Testing the accuracy of correlations for multicomponent mass transport of adsorbed gases in metal-organic frameworks: diffusion of H2/CH4 mixtures in CuBTC.

D. Sholl, J. Johnson, Seda Keskin, 2008, Langmuir : the ACS journal of surfaces and colloids.

Method for Predicting Dipole Moments of Complex Molecules for Use in Thermophysical Property Estimation

Michael L. Call, J. Johnson, Minh Nguyen Vo, 2019, Industrial & Engineering Chemistry Research.

Mechanism of Isobutylene Polymerization: Quantum Chemical Insight into AlCl3/H2O-Catalyzed Reactions

J. Keith, Yasemin Basdogan, Minh Nguyen Vo, 2018, ACS Catalysis.

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

Li‐Min Liu, Ziyu Hu, Da Wang, 2014, The Journal of chemical physics.

One-dimensional adsorption and diffusion in Zn(tbip)

L. Pan, S. Simizu, R. Obermyer, 2011 .

Critical Assessment of CO2 Solubility in Volatile Solvents at 298.15 K

D. Luebke, J. Johnson, R. Enick, 2011 .

Optimization of Carbon Nanotube Arrays for Hydrogen Adsorption.

J. Karl Johnson, Qinyu Wang, Qinyu Wang, 1999 .

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

J. Johnson, Liang Chen, J. Johnson, 2005, Physical review letters.

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

A. V. van Duin, Bo Zhang, J. Johnson, 2014, The journal of physical chemistry. B.

Energy Efficient Formaldehyde Synthesis by Direct Hydrogenation of Carbon Monoxide in Functionalized Metal–Organic Frameworks

Sen Zhang, Jonathan P. Ruffley, Lin Li, 2018, ACS Sustainable Chemistry & Engineering.

Hydrogen storage in carbon nanotubes and graphitic nanofibers

V. Simonyan, J. Johnson, J. Johnson, 2002 .

Finite Element Approach to Microwave Sintering of Oxide Materials

Y. Duan, D. Sorescu, J. Johnson, 2006 .

Machine Learning Electron Density Prediction Using Weighted Smooth Overlap of Atomic Positions

L. Bernasconi, J. Johnson, Siddarth K Achar, 2023, Nanomaterials.

Computer Simulations of Hydrogen Adsorption on Graphite Nanofibers

J. Johnson, Qinyu Wang, J. Johnson, 1999 .

In Silico Demonstration of Fast Anhydrous Proton Conduction on Graphanol

Siddarth K. Achar, L. Bernasconi, J. Johnson, 2023, ACS applied materials & interfaces.

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

D. Sholl, Liang Chen, J. Johnson, 2006, The journal of physical chemistry. B.

Fundamental Insights into the Reactivity and Utilization of Open Metal Sites in Cu(I)-MFU-4l

Yahui Yang, Nathaniel L. Rosi, Mona H. Mohamed, 2019, Organometallics.

Molecular physical chemistry for engineers

J. Yates, J. Johnson, 2007 .

Deliquescence of NaBH 4 from Density Functional Theory and Experiments

M. Matthews, W. Saidi, Lin Yu, 2013 .

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

J. Yates, O. Byl, Sunhee Kim, 2006, Journal of Physical Chemistry B.

Theoretical Study of the Impact of Vacancies and Disorder on the Electronic Properties of Cu2–xSe

J. Millstone, X. Gan, Jonathan P. Ruffley, 2021 .

CO2−Fluorocarbon and CO2−Hydrocarbon Interactions from First-Principles Calculations

K. Jordan, E. Beckman, J. Johnson, 1998 .

Oxygenated hydrocarbon ionic surfactants exhibit CO2 solubility.

A. Hamilton, E. Beckman, J. Johnson, 2005, Journal of the American Chemical Society.

Perturbation theory and computer simulations for linear and ring model polymers

J. Johnson, J. Johnson, 1996 .

Systematic modulation and enhancement of CO2 : N2 selectivity and water stability in an isoreticular series of bio-MOF-11 analogues

Nathaniel L. Rosi, Tao Li, Jeanne E. Sullivan, 2013 .

Design, Synthesis, and Characterization of Metal- Organic Frameworks for Enhanced Sorption of Chemical Warfare Agent Simulants—Supporting Information

Nathaniel L. Rosi, Tian-Yi Luo, Mélissandre Richard, 2019 .

Atomically detailed models of gas mixture diffusion through CuBTC membranes

D. Sholl, J. Johnson, Seda Keskin, 2009 .

C 60 sphase diagram: A full free-energy analysis

J. Lill, J. Broughton, J. Johnson, 1997 .

Influence of tert-amine groups on the solubility of polymers in CO2

E. Beckman, J. Johnson, R. Enick, 2009 .

Wetting Transition of Water on Graphite and Other Surfaces

M. W. Cole, J. Johnson, S. Gatica, 2004, cond-mat/0404346.

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

M. W. Cole, J. Yates, De-Li Chen, 2013, Physical review letters.

Test of the Duh-Haymet-Henderson theory for mixtures: cavity correlation functions and excess volumes

D. Henderson, S. Labík, J. Johnson, 2019, Molecular Physics.

Molecular-dynamics simulations of methane hydrate dissociation.

Niall J. English, C. Taylor, J. Johnson, 2005, The Journal of chemical physics.

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

A. V. van Duin, Bo Zhang, J. Johnson, 2014, The journal of physical chemistry. B.

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

Benjamin J. Bucior, De-Li Chen, G. Kolmakov, 2017, Langmuir : the ACS journal of surfaces and colloids.

Optimization of Xe adsorption kinetics in single walled carbon nanotubes

R. Smalley, J. Yates, V. Simonyan, 2001 .

Erratum: “An accurate H2–H2 interaction potential from first principles” [J. Chem. Phys. 112, 4465 (2000)]

Phong Diep, J. Johnson, 2000 .

Calculation of Self, Corrected, and Transport Diffusivities of Isopropyl Alcohol in UiO-66

M. Agrawal, Jacob J. Wardzala, J. Johnson, 2023, Nanomaterials.

Influence of Surface Reactions on Complex Hydride Reversibility

Rees B Rankin, M. Allendorf, D. Sholl, 2008 .

Stability analysis of doped materials for reversible hydrogen storage in destabilized metal hydrides

D. Sholl, Sudhakar V. Alapati, J. Johnson, 2007 .

Igniting Nanotubes with a Flash

D. Sholl, D. Sorescu, Christopher Matranga, 2002, Science.

Effect of Spin-Crossover-Induced Pore Contraction on CO2–Host Interactions in the Porous Coordination Polymers [Fe(pyrazine)M(CN)4] (M = Ni, Pt)

A. Goodman, J. Johnson, De-Li Chen, 2013 .

Adsorption of gases in carbon nanotubes: are defect interstitial sites important?

Wei Shi, M. Labrosse, J. Johnson, 2008, Langmuir : the ACS journal of surfaces and colloids.