| Year |
Citation |
Score |
| 2023 |
Achar SK, Bernasconi L, Johnson JK. Machine Learning Electron Density Prediction Using Weighted Smooth Overlap of Atomic Positions. Nanomaterials (Basel, Switzerland). 13. PMID 37368284 DOI: 10.3390/nano13121853 |
0.781 |
|
| 2023 |
Mhatre CV, Wardzala JJ, Shukla PB, Agrawal M, Johnson JK. Calculation of Self, Corrected, and Transport Diffusivities of Isopropyl Alcohol in UiO-66. Nanomaterials (Basel, Switzerland). 13. PMID 37299696 DOI: 10.3390/nano13111793 |
0.764 |
|
| 2023 |
Achar SK, Bernasconi L, DeMaio RI, Howard KR, Johnson JK. In Silico Demonstration of Fast Anhydrous Proton Conduction on Graphanol. Acs Applied Materials & Interfaces. PMID 37192530 DOI: 10.1021/acsami.3c04022 |
0.792 |
|
| 2022 |
Achar SK, Wardzala JJ, Bernasconi L, Zhang L, Johnson JK. Combined Deep Learning and Classical Potential Approach for Modeling Diffusion in UiO-66. Journal of Chemical Theory and Computation. 18: 3593-3606. PMID 35653218 DOI: 10.1021/acs.jctc.2c00010 |
0.804 |
|
| 2021 |
An Y, Kleinhammes A, Doyle P, Chen EY, Song Y, Morris AJ, Gibbons B, Cai M, Johnson JK, Shukla PB, Vo MN, Wei X, Wilmer CE, Ruffley JP, Huang L, et al. In Situ Nuclear Magnetic Resonance Investigation of Molecular Adsorption and Kinetics in Metal-Organic Framework UiO-66. The Journal of Physical Chemistry Letters. 10629-10636. PMID 33434023 DOI: 10.1021/acs.jpclett.0c03504 |
0.783 |
|
| 2020 |
Li L, Trepte K, Jackson KA, Johnson JK. Application of Self-Interaction Corrected Density Functional Theory to Early, Middle, and Late Transition States. The Journal of Physical Chemistry. A. PMID 32883077 DOI: 10.1021/Acs.Jpca.0C06485 |
0.317 |
|
| 2020 |
Ruffley JP, Goodenough I, Luo T, Richard M, Borguet E, Rosi NL, Johnson JK. Correction to “Design, Synthesis, and Characterization of Metal–Organic Frameworks for Enhanced Sorption of Chemical Warfare Agent Simulants” The Journal of Physical Chemistry C. 124: 19873-19873. DOI: 10.1021/Acs.Jpcc.0C07650 |
0.76 |
|
| 2019 |
Mohamed MH, Yang Y, Li L, Zhang S, Ruffley JP, Jarvi AG, Saxena S, Veser G, Johnson JK, Rosi NL. Designing Open Metal Sites in Metal-Organic Frameworks for Paraffin/Olefin Separations. Journal of the American Chemical Society. PMID 31381855 DOI: 10.1021/Jacs.9B06582 |
0.778 |
|
| 2019 |
Cai T, Johnson JK, Wu Y, Chen X. Toward Understanding the Kinetics of CO Capture on Sodium Carbonate. Acs Applied Materials & Interfaces. PMID 30729781 DOI: 10.1021/Acsami.8B20000 |
0.377 |
|
| 2019 |
Bagusetty A, Johnson JK. Unraveling Anhydrous Proton Conduction in Hydroxygraphane. The Journal of Physical Chemistry Letters. PMID 30649884 DOI: 10.1021/Acs.Jpclett.8B03627 |
0.785 |
|
| 2019 |
Li L, Zhang S, Ruffley JP, Johnson JK. Energy Efficient Formaldehyde Synthesis by Direct Hydrogenation of Carbon Monoxide in Functionalized Metal–Organic Frameworks Acs Sustainable Chemistry & Engineering. 7: 2508-2515. DOI: 10.1021/Acssuschemeng.8B05413 |
0.794 |
|
| 2019 |
Ruffley JP, Goodenough I, Luo T, Richard M, Borguet E, Rosi NL, Johnson JK. Design, Synthesis, and Characterization of Metal–Organic Frameworks for Enhanced Sorption of Chemical Warfare Agent Simulants The Journal of Physical Chemistry C. 123: 19748-19758. DOI: 10.1021/Acs.Jpcc.9B05574 |
0.803 |
|
| 2019 |
Bagusetty A, Livingston J, Johnson JK. Graphamine: Amine-Functionalized Graphane for Intrinsic Anhydrous Proton Conduction Journal of Physical Chemistry C. 123: 1566-1571. DOI: 10.1021/Acs.Jpcc.8B09001 |
0.787 |
|
| 2019 |
Vo MN, Call M, Kowall C, Johnson JK. Method for Predicting Dipole Moments of Complex Molecules for Use in Thermophysical Property Estimation Industrial & Engineering Chemistry Research. 58: 19263-19270. DOI: 10.1021/Acs.Iecr.9B03699 |
0.647 |
|
| 2018 |
Sharkas K, Li L, Trepte K, Withanage KPK, Joshi RP, Zope RR, Baruah T, Johnson JK, Jackson KA, Peralta JE. Shrinking Self-Interaction Errors with the Fermi-Löwdin Orbital Self-Interaction Corrected Density Functional Approximation. The Journal of Physical Chemistry. A. PMID 30412407 DOI: 10.1021/Acs.Jpca.8B09940 |
0.316 |
|
| 2018 |
Ní Leathlobhair M, Perri AR, Irving-Pease EK, Witt KE, Linderholm A, Haile J, Lebrasseur O, Ameen C, Blick J, Boyko AR, Brace S, Cortes YN, Crockford SJ, Devault A, Dimopoulos EA, ... ... Johnson J, et al. The evolutionary history of dogs in the Americas. Science (New York, N.Y.). 361: 81-85. PMID 29976825 DOI: 10.1126/Science.Aao4776 |
0.581 |
|
| 2018 |
Ye J, Li L, Johnson JK. The effect of topology in Lewis pair functionalized metal organic frameworks on CO2 adsorption and hydrogenation Catalysis Science & Technology. 8: 4609-4617. DOI: 10.1039/C8Cy01018H |
0.714 |
|
| 2018 |
Vo MN, Basdogan Y, Derksen BS, Proust N, Cox GA, Kowall C, Keith JA, Johnson JK. Mechanism of Isobutylene Polymerization: Quantum Chemical Insight into AlCl3/H2O-Catalyzed Reactions Acs Catalysis. 8: 8006-8013. DOI: 10.1021/Acscatal.8B01494 |
0.748 |
|
| 2018 |
Bhatnagar A, Johnson JK, Shaz MA, Srivastava ON. TiH2 as a Dynamic Additive for Improving the De/Rehydrogenation Properties of MgH2: A Combined Experimental and Theoretical Mechanistic Investigation Journal of Physical Chemistry C. 122: 21248-21261. DOI: 10.1021/Acs.Jpcc.8B07640 |
0.321 |
|
| 2018 |
Vo MN, Bryantsev VS, Johnson JK, Keith JA. Quantum chemistry benchmarking of binding and selectivity for lanthanide extractants International Journal of Quantum Chemistry. 118. DOI: 10.1002/Qua.25516 |
0.751 |
|
| 2017 |
Bucior BJ, Kolmakov GV, Male JM, Liu J, Chen DL, Kumar P, Johnson JK. Adsorption and Diffusion of Fluids in Defective Carbon Nanotubes: Insights from Molecular Simulations. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 28915730 DOI: 10.1021/Acs.Langmuir.7B02841 |
0.361 |
|
| 2017 |
Bagusetty A, Choudhury P, Saidi WA, Derksen B, Gatto E, Johnson JK. Publisher's Note: Facile Anhydrous Proton Transport on Hydroxyl Functionalized Graphane [Phys. Rev. Lett. 118, 186101 (2017)]. Physical Review Letters. 118: 239901. PMID 28644640 DOI: 10.1103/Physrevlett.118.239901 |
0.76 |
|
| 2017 |
Bagusetty A, Choudhury P, Saidi WA, Derksen B, Gatto E, Johnson JK. Facile Anhydrous Proton Transport on Hydroxyl Functionalized Graphane. Physical Review Letters. 118: 186101. PMID 28524689 DOI: 10.1103/Physrevlett.118.186101 |
0.791 |
|
| 2017 |
Ye J, Yeh BY, Reynolds RA, Johnson JK. Screening the activity of Lewis pairs for hydrogenation of CO2 Molecular Simulation. 43: 821-827. DOI: 10.1080/08927022.2017.1295457 |
0.707 |
|
| 2016 |
Saeger AR, Johnson JK, Chapman WG, Henderson D. Cavity correlation and bridge functions at high density and near the critical point: a test of second-order Percus–Yevick theory Molecular Physics. 1-7. DOI: 10.1080/00268976.2016.1177662 |
0.534 |
|
| 2016 |
Ye J, Johnson JK. Catalytic hydrogenation of CO2 to methanol in a Lewis pair functionalized MOF Catalysis Science & Technology. 6: 8392-8405. DOI: 10.1039/C6Cy01245K |
0.677 |
|
| 2016 |
Ewing CS, Bagusetty A, Patriarca EG, Lambrecht DS, Veser G, Johnson JK. Impact of Support Interactions for Single-Atom Molybdenum Catalysts on Amorphous Silica Industrial & Engineering Chemistry Research. 55: 12350-12357. DOI: 10.1021/Acs.Iecr.6B03558 |
0.774 |
|
| 2015 |
Ewing CS, Hartmann MJ, Martin KR, Musto AM, Padinjarekutt SJ, Weiss EM, Veser G, McCarthy JJ, Johnson JK, Lambrecht DS. Structural and electronic properties of Pt13 nanoclusters on amorphous silica supports Journal of Physical Chemistry C. 119: 2503-2512. DOI: 10.1021/Jp5105104 |
0.779 |
|
| 2015 |
Ye J, Johnson JK. Screening Lewis Pair Moieties for Catalytic Hydrogenation of CO2 in Functionalized UiO-66 Acs Catalysis. 5: 6219-6229. DOI: 10.1021/Acscatal.5B01191 |
0.712 |
|
| 2015 |
Ye J, Johnson JK. Design of Lewis Pair-Functionalized Metal Organic Frameworks for CO<inf>2</inf> Hydrogenation Acs Catalysis. 5: 2921-2928. DOI: 10.1021/Acscatal.5B00396 |
0.716 |
|
| 2015 |
Ewing CS, Veser G, McCarthy JJ, Johnson JK, Lambrecht DS. Effect of Support Preparation and Nanoparticle Size on Catalyst-Support Interactions between Pt and Amorphous Silica Journal of Physical Chemistry C. 119: 19934-19940. DOI: 10.1021/Acs.Jpcc.5B05763 |
0.774 |
|
| 2015 |
Ewing CS, Veser G, McCarthy JJ, Lambrecht DS, Johnson JK. Predicting catalyst-support interactions between metal nanoparticles and amorphous silica supports Surface Science. DOI: 10.1016/J.Susc.2016.03.004 |
0.777 |
|
| 2014 |
Zhang B, van Duin AC, Johnson JK. Development of a ReaxFF reactive force field for tetrabutylphosphonium glycinate/CO2 mixtures. The Journal of Physical Chemistry. B. 118: 12008-16. PMID 25285669 DOI: 10.1021/Jp5054277 |
0.409 |
|
| 2014 |
Hu ZY, Shao X, Wang D, Liu LM, Johnson JK. A first-principles study of lithium-decorated hybrid boron nitride and graphene domains for hydrogen storage. The Journal of Chemical Physics. 141: 084711. PMID 25173034 DOI: 10.1063/1.4893177 |
0.317 |
|
| 2014 |
Ewing CS, Bhavsar S, Veser G, McCarthy JJ, Johnson JK. Accurate amorphous silica surface models from first-principles thermodynamics of surface dehydroxylation. Langmuir : the Acs Journal of Surfaces and Colloids. 30: 5133-41. PMID 24793021 DOI: 10.1021/La500422P |
0.789 |
|
| 2014 |
Li P, Henkelman G, Keith JA, Johnson JK. Elucidation of aqueous solvent-mediated hydrogen-transfer reactions by ab initio molecular dynamics and nudged elastic-band studies of NaBH4 hydrolysis Journal of Physical Chemistry C. 118: 21385-21399. DOI: 10.1021/Jp507872D |
0.639 |
|
| 2014 |
Chen D, Wang N, Wang F, Xie J, Zhong Y, Zhu W, Johnson JK, Krishna R. Utilizing the Gate-Opening Mechanism in ZIF-7 for Adsorption Discrimination between N2O and CO2 The Journal of Physical Chemistry C. 118: 17831-17837. DOI: 10.1021/Jp5056733 |
0.334 |
|
| 2013 |
Mandeltort L, Chen DL, Saidi WA, Johnson JK, Cole MW, Yates JT. Experimental and theoretical comparison of gas desorption energies on metallic and semiconducting single-walled carbon nanotubes. Journal of the American Chemical Society. 135: 7768-76. PMID 23627526 DOI: 10.1021/Ja402928S |
0.4 |
|
| 2013 |
Chen DL, Mandeltort L, Saidi WA, Yates JT, Cole MW, Johnson JK. Is there a difference in van der Waals interactions between rare gas atoms adsorbed on metallic and semiconducting single-walled carbon nanotubes? Physical Review Letters. 110: 135503. PMID 23581336 DOI: 10.1103/Physrevlett.110.135503 |
0.371 |
|
| 2013 |
Zhang B, Johnson JK. Properties of weakly bound molecular oxygen on the rutile TiO 2(110) surface from density functional theory Journal of Physical Chemistry C. 117: 17151-17158. DOI: 10.1021/Jp4059142 |
0.384 |
|
| 2013 |
Li P, Yu L, Matthews MA, Saidi WA, Johnson JK. Deliquescence of NaBH 4 from Density Functional Theory and Experiments Industrial & Engineering Chemistry Research. 53: 13849-13861. DOI: 10.1021/Ie401742U |
0.455 |
|
| 2012 |
Chen DL, Al-Saidi WA, Johnson JK. The role of van der Waals interactions in the adsorption of noble gases on metal surfaces. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 24: 424211. PMID 23032730 DOI: 10.1088/0953-8984/24/42/424211 |
0.4 |
|
| 2012 |
Bucior BJ, Chen D, Liu J, Johnson JK. Porous Carbon Nanotube Membranes for Separation of H2/CH4 and CO2/CH4 Mixtures Journal of Physical Chemistry C. 116: 25904-25910. DOI: 10.1021/Jp3098022 |
0.309 |
|
| 2011 |
Kim KC, Kulkarni AD, Johnson JK, Sholl DS. Examining the robustness of first-principles calculations for metal hydride reaction thermodynamics by detection of metastable reaction pathways. Physical Chemistry Chemical Physics : Pccp. 13: 21520-9. PMID 22068383 DOI: 10.1039/C1Cp22489A |
0.52 |
|
| 2011 |
Kim KC, Kulkarni AD, Johnson JK, Sholl DS. Large-scale screening of metal hydrides for hydrogen storage from first-principles calculations based on equilibrium reaction thermodynamics. Physical Chemistry Chemical Physics : Pccp. 13: 7218-29. PMID 21409194 DOI: 10.1039/C0Cp02950E |
0.527 |
|
| 2011 |
Chen DL, Al-Saidi WA, Johnson JK. Noble gases on metal surfaces: Insights on adsorption site preference Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/Physrevb.84.241405 |
0.371 |
|
| 2011 |
Liu J, Lee JY, Pan L, Obermyer RT, Simizu S, Zande B, Sankar SG, Li J, Johnson JK. One-dimensional adsorption and diffusion in Zn(tbip) Molecular Simulation. 37: 640-646. DOI: 10.1080/08927022.2011.561431 |
0.374 |
|
| 2011 |
Liu J, Keskin S, Sholl DS, Johnson JK. Molecular simulations and theoretical predictions for adsorption and diffusion of CH4/H2 and CO2/CH4 mixtures in ZIFs Journal of Physical Chemistry C. 115: 12560-12566. DOI: 10.1021/Jp203053H |
0.526 |
|
| 2011 |
Miller MB, Chen DL, Luebke DR, Johnson JK, Enick RM. Critical assessment of CO2 solubility in volatile solvents at 298.15 K Journal of Chemical and Engineering Data. 56: 1565-1572. DOI: 10.1021/Je101161D |
0.304 |
|
| 2011 |
Beaird AM, Li P, Marsh HS, Al-Saidi WA, Johnson JK, Matthews MA, Williams CT. Thermal dehydration and vibrational spectra of hydrated sodium metaborates Industrial and Engineering Chemistry Research. 50: 7746-7752. DOI: 10.1021/Ie102345J |
0.346 |
|
| 2011 |
Hao S, Rankin RB, Johnson JK, Sholl DS. Surface reactions of AsH3, H2Se, and H2S on the Zn2TiO4(010) surface Surface Science. 605: 818-823. DOI: 10.1016/J.Susc.2011.01.025 |
0.735 |
|
| 2010 |
Xie HB, Zhou Y, Zhang Y, Johnson JK. Reaction mechanism of monoethanolamine with CO₂ in aqueous solution from molecular modeling. The Journal of Physical Chemistry. A. 114: 11844-52. PMID 20939618 DOI: 10.1021/Jp107516K |
0.34 |
|
| 2010 |
Labrosse MR, Johnson JK, van Duin AC. Development of a transferable reactive force field for cobalt. The Journal of Physical Chemistry. A. 114: 5855-61. PMID 20394398 DOI: 10.1021/Jp911867R |
0.711 |
|
| 2010 |
Garberoglio G, Johnson JK. Hydrogen isotope separation in carbon nanotubes: calculation of coupled rotational and translational States at high densities. Acs Nano. 4: 1703-15. PMID 20146443 DOI: 10.1021/Nn901592X |
0.387 |
|
| 2010 |
Labrosse MR, Chen L, Johnson JK. First principles study of vacancy and tungsten diffusion in fcc cobalt Modelling and Simulation in Materials Science and Engineering. 18. DOI: 10.1088/0965-0393/18/1/015008 |
0.703 |
|
| 2010 |
Labrosse MR, Johnson JK. Defect and nondefect interstitial channel availability in carbon nanotube bundles: Comparison of modeling with experiments Journal of Physical Chemistry C. 114: 7602-7610. DOI: 10.1021/Jp910966E |
0.701 |
|
| 2010 |
Mandeltort L, Büttner M, Yates JT, Choudhury P, Xiao L, Johnson JK. Carbon−Chlorine Bond Scission in Li-Doped Single-Walled Carbon Nanotubes: Reaction of CH3Cl and Lithium† Journal of Physical Chemistry C. 114: 17148-17158. DOI: 10.1021/Jp103942N |
0.343 |
|
| 2010 |
Kulkarni AD, Wang LL, Johnson DD, Sholl DS, Johnson JK. First-principles characterization of amorphous phases of MB 12H12, M = Mg, Ca Journal of Physical Chemistry C. 114: 14601-14605. DOI: 10.1021/Jp101326G |
0.506 |
|
| 2009 |
Wang Y, Hong L, Tapriyal D, Kim IC, Paik IH, Crosthwaite JM, Hamilton AD, Thies MC, Beckman EJ, Enick RM, Johnson JK. Design and evaluation of nonfluorous CO2-soluble oligomers and polymers. The Journal of Physical Chemistry. B. 113: 14971-80. PMID 19845375 DOI: 10.1021/Jp9073812 |
0.321 |
|
| 2009 |
Feldman JL, Johnson JK, Hemley RJ. Vibron hopping and bond anharmonicity in hot dense hydrogen. The Journal of Chemical Physics. 130: 054502. PMID 19206979 DOI: 10.1063/1.3072713 |
0.344 |
|
| 2009 |
Liu J, Rankin RB, Johnson JK. The importance of charge-quadrupole interactions for H2 adsorption and diffusion in CuBTC Molecular Simulation. 35: 60-69. DOI: 10.1080/08927020802398926 |
0.718 |
|
| 2009 |
Rankin RB, Liu J, Kulkarni AD, Johnson JK. Adsorption and diffusion of light gases in ZIF-68 and ZIF-70: A simulation study Journal of Physical Chemistry C. 113: 16906-16914. DOI: 10.1021/Jp903735M |
0.722 |
|
| 2009 |
Keskin S, Liu J, Rankin RB, Johnson JK, Sholl DS. Progress, opportunities, and challenges for applying atomically detailed modeling to molecular adsorption and transport in metal - Organic framework materials Industrial and Engineering Chemistry Research. 48: 2355-2371. DOI: 10.1021/Ie800666S |
0.761 |
|
| 2009 |
Kilic S, Wang Y, Johnson JK, Beckman EJ, Enick RM. Influence of tert-amine groups on the solubility of polymers in CO2 Polymer. 50: 2436-2444. DOI: 10.1016/J.Polymer.2009.03.012 |
0.328 |
|
| 2009 |
Keskin S, Liu J, Johnson JK, Sholl DS. Atomically detailed models of gas mixture diffusion through CuBTC membranes Microporous and Mesoporous Materials. 125: 101-106. DOI: 10.1016/J.Micromeso.2009.01.016 |
0.518 |
|
| 2009 |
Lueking AD, Kim HY, Jagiello J, Bancroft K, Johnson JK, Cole MW. Tests of pore-size distributions deduced from inversion of simulated and real adsorption data Journal of Low Temperature Physics. 157: 410-428. DOI: 10.1007/S10909-009-9911-1 |
0.382 |
|
| 2009 |
Liu J, Johnson JK. Prediction of CH 4/H 2 mixture selectivity in Zn(tbip) from computer simulations Journal of Low Temperature Physics. 157: 268-276. DOI: 10.1007/S10909-009-9910-2 |
0.338 |
|
| 2008 |
Labrosse MR, Shi W, Johnson JK. Adsorption of gases in carbon nanotubes: are defect interstitial sites important? Langmuir : the Acs Journal of Surfaces and Colloids. 24: 9430-9. PMID 18683959 DOI: 10.1021/La801051U |
0.726 |
|
| 2008 |
Keskin S, Liu J, Johnson JK, Sholl DS. Testing the accuracy of correlations for multicomponent mass transport of adsorbed gases in metal-organic frameworks: diffusion of H2/CH4 mixtures in CuBTC. Langmuir : the Acs Journal of Surfaces and Colloids. 24: 8254-61. PMID 18613712 DOI: 10.1021/La800486F |
0.559 |
|
| 2008 |
Rankin RB, Campos A, Tian H, Siriwardane R, Roy A, Spivey JJ, Sholl DS, Johnson JK. Characterization of bulk structure in zinc orthotitanate: A density functional theory and EXAFS investigation Journal of the American Ceramic Society. 91: 584-590. DOI: 10.1111/J.1551-2916.2007.02186.X |
0.741 |
|
| 2008 |
Rankin RB, Sholl DS, Johnson JK. Density functional theory calculations of the surface structure of the inverse spinel zinc orthotitanate Journal of Physics Condensed Matter. 20. DOI: 10.1088/0953-8984/20/9/095001 |
0.72 |
|
| 2008 |
Kim HY, Lueking AD, Gatica SM, Johnson JK, Cole MW. A corresponding states principle for physisorption and deviations for quantum fluids Molecular Physics. 106: 1579-1585. DOI: 10.1080/00268970802189770 |
0.351 |
|
| 2008 |
Dai B, Rankin RB, Johnson JK, Allendorf MD, Sholl DS, Zarkevich NA, Johnson DD. Influence of surface reactions on complex hydride reversibility Journal of Physical Chemistry C. 112: 18270-18279. DOI: 10.1021/Jp807162K |
0.727 |
|
| 2008 |
Dai B, Sholl DS, Johnson JK. First-Principles Study of Experimental and Hypothetical Mg(BH4)2 Crystal Structures The Journal of Physical Chemistry C. 112: 4391-4395. DOI: 10.1021/Jp710154T |
0.475 |
|
| 2008 |
Liu J, Lee JY, Pan L, Obermyer RT, Simizu S, Zande B, Li J, Sankar SG, Johnson JK. Adsorption and diffusion of hydrogen in a new metal-organic framework material: [Zn(bdc)(ted)0.5] Journal of Physical Chemistry C. 112: 2911-2917. DOI: 10.1021/Jp710011B |
0.394 |
|
| 2008 |
Rankin RB, Hao S, Sholl DS, Johnson JK. DFT characterization of adsorption and diffusion mechanisms of H, As, S, and Se on the zinc orthotitanate(0 1 0) surface Surface Science. 602: 1877-1882. DOI: 10.1016/J.Susc.2008.03.037 |
0.756 |
|
| 2007 |
Rosenbaum EJ, English NJ, Johnson JK, Shaw DW, Warzinski RP. Thermal conductivity of methane hydrate from experiment and molecular simulation. The Journal of Physical Chemistry. B. 111: 13194-205. PMID 17967008 DOI: 10.1021/Jp074419O |
0.552 |
|
| 2007 |
Zhao X, Johnson JK. Simulation of adsorption of DNA on carbon nanotubes Journal of the American Chemical Society. 129: 10438-10445. PMID 17676840 DOI: 10.1021/Ja071844M |
0.59 |
|
| 2007 |
Alapati SV, Johnson JK, Sholl DS. Stability analysis of doped materials for reversible hydrogen storage in destabilized metal hydrides Physical Review B - Condensed Matter and Materials Physics. 76. DOI: 10.1103/Physrevb.76.104108 |
0.479 |
|
| 2007 |
Kilic S, Michalik S, Wang Y, Johnson JK, Enick RM, Beckman EJ. Phase behavior of oxygen-containing polymers in CO2 Macromolecules. 40: 1332-1341. DOI: 10.1021/Ma061422H |
0.352 |
|
| 2007 |
Liu J, Culp JT, Natesakhawat S, Bockrath BC, Zande B, Sankar SG, Garberoglio G, Johnson JK. Experimental and theoretical studies of gas adsorption in Cu 3(BTC) 2: An effective activation procedure Journal of Physical Chemistry C. 111: 9305-9313. DOI: 10.1021/Jp071449I |
0.373 |
|
| 2007 |
Dai B, Sholl DS, Johnson JK. First-principles investigation of adsorption and dissociation of hydrogen on Mg2Si surfaces Journal of Physical Chemistry C. 111: 6910-6916. DOI: 10.1021/Jp070469H |
0.554 |
|
| 2007 |
Kim S, Chen L, Johnson JK, Marand E. Polysulfone and functionalized carbon nanotube mixed matrix membranes for gas separation: Theory and experiment Journal of Membrane Science. 294: 147-158. DOI: 10.1016/J.Memsci.2007.02.028 |
0.338 |
|
| 2007 |
Alapati SV, Johnson JK, Sholl DS. First principles screening of destabilized metal hydrides for high capacity H2 storage using scandium Journal of Alloys and Compounds. 446: 23-27. DOI: 10.1016/J.Jallcom.2006.10.166 |
0.536 |
|
| 2006 |
Byl O, Liu JC, Wang Y, Yim WL, Johnson JK, Yates JT. Unusual hydrogen bonding in water-filled carbon nanotubes. Journal of the American Chemical Society. 128: 12090-7. PMID 16967958 DOI: 10.1021/Ja057856U |
0.366 |
|
| 2006 |
Sholl DS, Johnson JK. Materials science. Making high-flux membranes with carbon nanotubes. Science (New York, N.Y.). 312: 1003-4. PMID 16709770 DOI: 10.1126/Science.1127261 |
0.472 |
|
| 2006 |
Kim S, Byl O, Liu JC, Johnson JK, Yates JT. Spectroscopic measurement of diffusion kinetics through subnanometer and larger Al2O3 particles by a new method: the interaction of 2-chloroethylethyl sulfide with gamma-Al2O3. The Journal of Physical Chemistry. B. 110: 9204-10. PMID 16671735 DOI: 10.1021/Jp057075F |
0.314 |
|
| 2006 |
Alapati SV, Johnson JK, Sholl DS. Identification of destabilized metal hydrides for hydrogen storage using first principles calculations. The Journal of Physical Chemistry. B. 110: 8769-76. PMID 16640434 DOI: 10.1021/Jp060482M |
0.523 |
|
| 2006 |
Chen H, Johnson JK, Sholl DS. Transport diffusion of gases is rapid in flexible carbon nanotubes. The Journal of Physical Chemistry. B. 110: 1971-5. PMID 16471771 DOI: 10.1021/Jp056911I |
0.533 |
|
| 2006 |
Chen L, Sholl DS, Johnson JK. First principles study of adsorption and dissociation of CO on W(111). The Journal of Physical Chemistry. B. 110: 1344-9. PMID 16471684 DOI: 10.1021/Jp055374Z |
0.588 |
|
| 2006 |
Skoulidas AI, Sholl DS, Johnson JK. Adsorption and diffusion of carbon dioxide and nitrogen through single-walled carbon nanotube membranes. The Journal of Chemical Physics. 124: 054708. PMID 16468902 DOI: 10.1063/1.2151173 |
0.554 |
|
| 2006 |
Garberoglio G, DeKlavon MM, Johnson JK. Quantum sieving in single-walled carbon nanotubes: Effect of interaction potential and rotational-translational coupling Journal of Physical Chemistry B. 110: 1733-1741. DOI: 10.1021/Jp054511P |
0.324 |
|
| 2005 |
Kondratyuk P, Wang Y, Johnson JK, Yates JT. Observation of a one-dimensional adsorption site on carbon nanotubes: adsorption of alkanes of different molecular lengths. The Journal of Physical Chemistry. B. 109: 20999-1005. PMID 16853722 DOI: 10.1021/Jp0582078 |
0.424 |
|
| 2005 |
Garberoglio G, Skoulidas AI, Johnson JK. Adsorption of gases in metal organic materials: comparison of simulations and experiments. The Journal of Physical Chemistry. B. 109: 13094-103. PMID 16852629 DOI: 10.1021/Jp050948L |
0.412 |
|
| 2005 |
English NJ, Johnson JK, Taylor CE. Molecular-dynamics simulations of methane hydrate dissociation. The Journal of Chemical Physics. 123: 244503. PMID 16396545 DOI: 10.1063/1.2138697 |
0.483 |
|
| 2005 |
Fan X, Potluri VK, McLeod MC, Wang Y, Liu J, Enick RM, Hamilton AD, Roberts CB, Johnson JK, Beckman EJ. Oxygenated hydrocarbon ionic surfactants exhibit CO2 solubility. Journal of the American Chemical Society. 127: 11754-62. PMID 16104753 DOI: 10.1021/Ja052037V |
0.36 |
|
| 2005 |
Yim WL, Byl O, Yates JT, Johnson JK. Dimensional effects on the LO-TO splitting in CF4: first-principles and infrared absorption studies. Journal of the American Chemical Society. 127: 3198-206. PMID 15740160 DOI: 10.1021/Ja043540V |
0.302 |
|
| 2005 |
Chen L, Johnson JK. Formation of odd-numbered clusters of CO2 adsorbed, on nanotube bundles Physical Review Letters. 94. DOI: 10.1103/Physrevlett.94.125701 |
0.396 |
|
| 2004 |
Zhao X, Johnson JK, Rasmussen CE. Surface tension of quantum fluids from molecular simulations. The Journal of Chemical Physics. 120: 8707-15. PMID 15267801 DOI: 10.1063/1.1695317 |
0.663 |
|
| 2004 |
Yim WL, Byl O, Yates JT, Johnson JK. Vibrational behavior of adsorbed CO2 on single-walled carbon nanotubes. The Journal of Chemical Physics. 120: 5377-86. PMID 15267411 DOI: 10.1063/1.1648017 |
0.381 |
|
| 2004 |
Pan L, Sander MB, Huang X, Li J, Smith M, Bittner E, Bockrath B, Johnson JK. Microporous metal organic materials: promising candidates as sorbents for hydrogen storage. Journal of the American Chemical Society. 126: 1308-9. PMID 14759166 DOI: 10.1021/Ja0392871 |
0.353 |
|
| 2004 |
Baradie B, Shoichet MS, Shen Z, McHugh MA, Hong L, Wang Y, Johnson JK, Beckman EJ, Enick RM. Synthesis and solubility of linear poly(tetrafluoroethylene-co-vinyl acetate) in dense CO 2: Experimental and molecular modeling results Macromolecules. 37: 7799-7807. DOI: 10.1021/Ma049384U |
0.373 |
|
| 2003 |
Shi W, Johnson JK. Gas adsorption on heterogeneous single-walled carbon nanotube bundles. Physical Review Letters. 91: 15504. PMID 12906549 DOI: 10.1103/Physrevlett.91.015504 |
0.453 |
|
| 2003 |
Byl O, Kondratyuk P, Forth ST, FitzGerald SA, Chen L, Johnson JK, Yates JT. Adsorption of CF4 on the internal and external surfaces of opened single-walled carbon nanotubes: a vibrational spectroscopy study. Journal of the American Chemical Society. 125: 5889-96. PMID 12733930 DOI: 10.1021/Ja020949G |
0.31 |
|
| 2003 |
Matranga C, Chen L, Smith M, Bittner E, Johnson JK, Bockrath B. Trapped CO2 in Carbon Nanotube Bundles Journal of Physical Chemistry B. 107: 12930-12941. DOI: 10.1021/Jp0364654 |
0.407 |
|
| 2003 |
Smith MR, Bittner EW, Shi W, Johnson JK, Bockrath BC. Chemical Activation of Single-Walled Carbon Nanotubes for Hydrogen Adsorption Journal of Physical Chemistry B. 107: 3752-3760. DOI: 10.1021/Jp027631V |
0.466 |
|
| 2002 |
Skoulidas AI, Ackerman DM, Johnson JK, Sholl DS. Rapid transport of gases in carbon nanotubes. Physical Review Letters. 89: 185901. PMID 12398618 DOI: 10.1103/Physrevlett.89.185901 |
0.516 |
|
| 2002 |
Bockrath B, Johnson JK, Sholl DS, Howard B, Matranga C, Shi W, Sorescu D. Igniting nanotubes with a flash. Science (New York, N.Y.). 297: 192-3; author reply . PMID 12117006 DOI: 10.1126/Science.297.5579.192 |
0.553 |
|
| 2002 |
Shi W, Zhao X, Johnson JK. Phase transitions of adsorbed fluids computed from multiple-histogram reweighting Molecular Physics. 100: 2139-2150. DOI: 10.1080/00268970210122118 |
0.676 |
|
| 2002 |
Zhao X, Kwon S, Vidic RD, Borguet E, Johnson JK. Layering and orientational ordering of propane on graphite: An experimental and simulation study Journal of Chemical Physics. 117: 7719-7731. DOI: 10.1063/1.1508363 |
0.653 |
|
| 2002 |
Turner CH, Brennan JK, Johnson JK, Gubbins KE. Effect of confinement by porous materials on chemical reaction kinetics Journal of Chemical Physics. 116: 2138-2148. DOI: 10.1063/1.1431590 |
0.668 |
|
| 2002 |
Challa SR, Sholl DS, Johnson JK. Adsorption and separation of hydrogen isotopes in carbon nanotubes: Multicomponent grand canonical Monte Carlo simulations The Journal of Chemical Physics. 116: 814-824. DOI: 10.1063/1.1423665 |
0.802 |
|
| 2002 |
Simonyan VV, Johnson JK. Hydrogen storage in carbon nanotubes and graphitic nanofibers Journal of Alloys and Compounds. 330: 659-665. DOI: 10.1016/S0925-8388(01)01664-4 |
0.397 |
|
| 2001 |
Challa SR, Sholl DS, Johnson JK. Light isotope separation in carbon nanotubes through quantum molecular sieving Physical Review B. 63. DOI: 10.1103/Physrevb.63.245419 |
0.763 |
|
| 2001 |
Munro LJ, Johnson JK, Jordan KD. An interatomic potential for mercury dimer Journal of Chemical Physics. 114: 5545-5551. DOI: 10.1063/1.1351877 |
0.319 |
|
| 2001 |
Simonyan VV, Johnson JK, Kuznetsova A, Yates JT. Molecular simulation of xenon adsorption on single-walled carbon nanotubes Journal of Chemical Physics. 114: 4180-4185. DOI: 10.1063/1.1344234 |
0.387 |
|
| 2001 |
Turner CH, Johnson JK, Gubbins KE. Effect of confinement on chemical reaction equilibria: The reactions 2NO⇔(NO)2 and N2+3H2⇔2NH3 in carbon micropores Journal of Chemical Physics. 114: 1851-1859. DOI: 10.1063/1.1328756 |
0.512 |
|
| 2001 |
Shi W, Johnson JK. Histogram reweighting and finite-size scaling study of the Lennard-Jones fluids Fluid Phase Equilibria. 187: 171-191. DOI: 10.1016/S0378-3812(01)00534-9 |
0.376 |
|
| 2000 |
Diep P, Johnson JK. An accurate H2–H2 interaction potential from first principles Journal of Chemical Physics. 112: 4465-4473. DOI: 10.1063/1.481009 |
0.777 |
|
| 2000 |
Diep P, Johnson JK. Erratum: “An accurate H2–H2 interaction potential from first principles” [J. Chem. Phys. 112, 4465 (2000)] Journal of Chemical Physics. 113: 3480-3481. DOI: 10.1063/1.1287060 |
0.741 |
|
| 2000 |
Kostov MK, Cole MW, Lewis JC, Diep P, Johnson J. Many-body interactions among adsorbed atoms and molecules within carbon nanotubes and in free space Chemical Physics Letters. 332: 26-34. DOI: 10.1016/S0009-2614(00)01245-8 |
0.758 |
|
| 1999 |
Simonyan VV, Diep P, Johnson JK. Molecular simulation of hydrogen adsorption in charged single-walled carbon nanotubes Journal of Chemical Physics. 111: 9778-9783. DOI: 10.1063/1.480313 |
0.78 |
|
| 1999 |
Challa SR, Johnson JK. Molar excess volumes of liquid hydrogen and neon mixtures from path integral simulation Journal of Chemical Physics. 111: 724-729. DOI: 10.1063/1.479351 |
0.789 |
|
| 1999 |
Wang Q, Johnson JK. Molecular simulation of hydrogen adsorption in single-walled carbon nanotubes and idealized carbon slit pores Journal of Chemical Physics. 110: 577-586. DOI: 10.1063/1.478114 |
0.742 |
|
| 1999 |
and QW, Johnson JK. Optimization of Carbon Nanotube Arrays for Hydrogen Adsorption Journal of Physical Chemistry B. 103: 4809-4813. DOI: 10.1021/Jp9900032 |
0.343 |
|
| 1998 |
Wang Q, Johnson JK. Hydrogen adsorption on graphite and in carbon slit pores from path integral simulations Molecular Physics. 95: 299-309. DOI: 10.1080/00268979809483162 |
0.743 |
|
| 1998 |
Diep P, Jordan KD, Johnson JK, Beckmann EJ. CO2-fluorocarbon and CO2-hydrocarbon interactions from first-principles calculations Journal of Physical Chemistry A. 102: 2231-2236. DOI: 10.1021/Jp9730306 |
0.756 |
|
| 1997 |
Wang Q, Johnson JK, Broughton JQ. Path integral grand canonical Monte Carlo Journal of Chemical Physics. 107: 5108-5117. DOI: 10.1063/1.474874 |
0.712 |
|
| 1997 |
Wang Q, Johnson JK. Phase equilibrium of quantum fluids from simulation: Hydrogen and neon Fluid Phase Equilibria. 132: 93-116. DOI: 10.1016/S0378-3812(97)00003-4 |
0.722 |
|
| 1996 |
Johnson JK. Perturbation theory and computer simulations for linear and ring model polymers Journal of Chemical Physics. 104: 1729-1742. DOI: 10.1063/1.470758 |
0.328 |
|
| 1993 |
Johnson JK, Zollweg JA, Gubbins KE. The lennard-jones equation of state revisited Molecular Physics. 78: 591-618. DOI: 10.1080/00268979300100411 |
0.465 |
|
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