| Year |
Citation |
Score |
| 2024 |
Cho J, Medina A, Saih I, Choi JI, Drexler M, Goddard WA, Alamgir FM, Jang SS. 2D Metal/Graphene and 2D Metal/Graphene/Metal Systems for Electrocatalytic Conversion of CO2 to Formic Acid. Angewandte Chemie (International Ed. in English). e202320268. PMID 38271278 DOI: 10.1002/anie.202320268 |
0.426 |
|
| 2022 |
Chang CW, Borne I, Lawler RM, Yu Z, Jang SS, Lively RP, Sholl DS. Accelerating Solvent Selection for Type II Porous Liquids. Journal of the American Chemical Society. PMID 35170940 DOI: 10.1021/jacs.1c13049 |
0.418 |
|
| 2021 |
Jo S, Yoon KR, Lim Y, Kwon T, Kang YS, Sohn H, Choi SH, Son HJ, Kwon SH, Lee SG, Jang SS, Lee SY, Kim HJ, Kim JY. Single-Step Fabrication of Polymeric Composite Membrane via Centrifugal Colloidal Casting for Fuel Cell Applications. Small Methods. 5: e2100285. PMID 34927860 DOI: 10.1002/smtd.202100285 |
0.765 |
|
| 2021 |
Kwon SH, Lee SY, Kim H, Jang SS, Lee SG. Distribution characteristics of phosphoric acid and PTFE binder on Pt/C surfaces in high-temperature polymer electrolyte membrane fuel cells: Molecular dynamics simulation approach International Journal of Hydrogen Energy. 46: 17295-17305. DOI: 10.1016/J.IJHYDENE.2021.01.218 |
0.703 |
|
| 2020 |
Lawler RM, Caliendo CJ, Ju H, Kim JY, Lee SW, Jang SS. Effect of Side Chain Length in Perfluorinated Sulfonic and Phosphoric Acid Based Membranes on Nanophase Segregation and Transport: A Molecular Dynamics Simulation Approach. The Journal of Physical Chemistry. B. PMID 32026694 DOI: 10.1021/Acs.Jpcb.9B10408 |
0.365 |
|
| 2020 |
Kang H, Kwon SH, Lawler RM, Lee JH, Doo G, Kim H, Yim S, Jang SS, Lee SG. Nanostructures of Nafion Film at Platinum/Carbon Surface in Catalyst Layer of PEMFC: Molecular Dynamics Simulation Approach Journal of Physical Chemistry C. DOI: 10.1021/Acs.Jpcc.0C03651 |
0.706 |
|
| 2020 |
Kim KC, Jang SS. Molecular Simulation Study on Factors Affecting Carbon Dioxide Adsorption on Amorphous Silica Surfaces The Journal of Physical Chemistry C. 124: 12580-12588. DOI: 10.1021/Acs.Jpcc.0C03035 |
0.348 |
|
| 2020 |
Loupe N, Abu-Hakmeh K, Gao S, Gonzalez L, Ingargiola M, Mathiowetz K, Cruse R, Doan J, Schide A, Salas I, Dimakis N, Jang SS, Goddard WA, Smotkin ES. Group Vibrational Mode Assignments as a Broadly Applicable Tool for Characterizing Ionomer Membrane Structure as a Function of Degree of Hydration Chemistry of Materials. 32: 1828-1843. DOI: 10.1021/Acs.Chemmater.9B04037 |
0.492 |
|
| 2020 |
Lee H, Choi JI, Park J, Jang SS, Lee SW. Role of anions on electrochemical exfoliation of graphite into graphene in aqueous acids Carbon. 167: 816-825. DOI: 10.1016/J.Carbon.2020.06.044 |
0.323 |
|
| 2020 |
Kwon S, Kwon HJ, Choi JI, Lee HC, Russell AG, Lee SG, Kim T, Jang SS. Toward enhanced CO2 adsorption on bimodal calcium-based materials with porous truncated architectures Applied Surface Science. 505: 144512. DOI: 10.1016/J.Apsusc.2019.144512 |
0.71 |
|
| 2019 |
Kim KC, Liu T, Jung KH, Lee SW, Jang SS. Unveiled correlations between electron affinity and solvation in redox potential of quinone-based sodium-ion batteries Energy Storage Materials. 19: 242-250. DOI: 10.1016/J.Ensm.2019.01.017 |
0.333 |
|
| 2018 |
Callaway C, Hendrickson K, Bond N, Lee SM, Sood P, Jang SS. Molecular Modeling Approach to Determine Flory-Huggins Interaction Parameter for Polymer Miscibility Analysis. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 29575473 DOI: 10.1002/Cphc.201701337 |
0.316 |
|
| 2018 |
Kim KC, Jang SS. Effects of thermal shrinkage temperatures and comonomers on thermal shrinkage of uniaxially-stretched PET copolymer films: a molecular dynamics simulation approach New Journal of Chemistry. 42: 4991-4997. DOI: 10.1039/C7Nj05087A |
0.303 |
|
| 2018 |
Kang J, Kim KC, Jang SS. Density Functional Theory Modeling-Assisted Investigation of Thermodynamics and Redox Properties of Boron-Doped Corannulenes for Cathodes in Lithium-Ion Batteries The Journal of Physical Chemistry C. 122: 10675-10681. DOI: 10.1021/Acs.Jpcc.8B00827 |
0.31 |
|
| 2018 |
Sood P, Kim KC, Jang SS. Electrochemical and electronic properties of nitrogen doped fullerene and its derivatives for lithium-ion battery applications Journal of Energy Chemistry. 27: 528-534. DOI: 10.1016/J.Jechem.2017.11.009 |
0.316 |
|
| 2018 |
Lee J, Choi JI, Cho AE, Kumar S, Jang SS, Kim Y. Carbon Fibers: Origin and Control of Polyacrylonitrile Alignments on Carbon Nanotubes and Graphene Nanoribbons (Adv. Funct. Mater. 15/2018) Advanced Functional Materials. 28: 1870099. DOI: 10.1002/Adfm.201870099 |
0.438 |
|
| 2018 |
Lee J, Choi JI, Cho AE, Kumar S, Jang SS, Kim Y. Origin and Control of Polyacrylonitrile Alignments on Carbon Nanotubes and Graphene Nanoribbons Advanced Functional Materials. 28: 1706970. DOI: 10.1002/Adfm.201706970 |
0.512 |
|
| 2017 |
Sood P, Kim KC, Jang SS. Electrochemical Properties of Boron-Doped Fullerene Derivatives for Lithium-Ion Battery Applications. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 29216411 DOI: 10.1002/Cphc.201701171 |
0.328 |
|
| 2017 |
Kwon S, Kwon HJ, Choi JI, Kim KC, Seo JG, Park JE, You SJ, Park ED, Jang SS, Lee HC. Enhanced Selectivity for CO2 Adsorption on Mesoporous Silica with Alkali Metal Halide due to Electrostatic Field: A Molecular Simulation Approach. Acs Applied Materials & Interfaces. PMID 28829116 DOI: 10.1021/Acsami.7B04508 |
0.308 |
|
| 2017 |
Park JH, Liu T, Kim KC, Lee SW, Jang SS. Systematic Molecular Design of Ketone Derivatives of Aromatic Molecules for Lithium-Ion Batteries: First-Principles Density Functional Theory Modelling. Chemsuschem. PMID 28199064 DOI: 10.1002/Cssc.201601730 |
0.323 |
|
| 2017 |
Kim H, Lee SG, Park JS, Jang SS, Koh J. Structure and hydrophilicity of azo-dye-derived rotaxane: density functional theory approach Coloration Technology. 133: 382-390. DOI: 10.1111/Cote.12291 |
0.713 |
|
| 2017 |
Yoo H, Kim KC, Jang SS. Blends of poly(3-alkylthiophene) and [6,6]-phenyl-C61-butyric acid methyl ester for organic photovoltaic cell applications: Multi-scale modeling approach Computational Materials Science. 126: 299-307. DOI: 10.1016/J.Commatsci.2016.10.004 |
0.361 |
|
| 2016 |
Niu LN, Jee SE, Jiao K, Tonggu L, Li M, Wang L, Yang YD, Bian JH, Breschi L, Jang SS, Chen JH, Pashley DH, Tay FR. Collagen intrafibrillar mineralization as a result of the balance between osmotic equilibrium and electroneutrality. Nature Materials. PMID 27820813 DOI: 10.1038/Nmat4789 |
0.323 |
|
| 2016 |
Kim S, Kim KC, Lee SW, Jang SS. Thermodynamic and redox properties of graphene oxides for lithium-ion battery applications: a first principles density functional theory modeling approach. Physical Chemistry Chemical Physics : Pccp. PMID 27412373 DOI: 10.1039/C6Cp02692C |
0.301 |
|
| 2016 |
Kim KC, Moschetta EG, Jones CW, Jang SS. Molecular Dynamics Simulations of Aldol Condensation Catalyzed by Alkylamine-Functionalized Crystalline Silica Surfaces. Journal of the American Chemical Society. PMID 27238580 DOI: 10.1021/Jacs.6B03309 |
0.354 |
|
| 2016 |
Jee SE, Zhou J, Tan J, Breschi L, Tay FR, Grégoire G, Pashley DH, Jang SS. Ethanol infiltration into demineralized dentin collagen fibrils via molecular dynamics simulations. Acta Biomaterialia. PMID 26969524 DOI: 10.1016/J.Actbio.2016.03.012 |
0.32 |
|
| 2016 |
Chun BJ, Fisher CC, Jang SS. Dissipative particle dynamics simulation study of poly(2-oxazoline)-based multicompartment micelle nanoreactor. Physical Chemistry Chemical Physics : Pccp. PMID 26853511 DOI: 10.1039/C5Cp07100C |
0.346 |
|
| 2016 |
Chiba A, Zhou J, Nakajima M, Tan J, Tagami J, Scheffel D, Hebling J, Agee KA, Breschi L, Grégoire G, Jang SS, Tay FR, Pashley DH. The effects of ethanol on the size-exclusion characteristics of type I dentin collagen to adhesive resin monomers. Acta Biomaterialia. PMID 26827779 DOI: 10.1016/J.Actbio.2016.01.040 |
0.337 |
|
| 2016 |
Kim KC, Liu T, Lee SW, Jang SS. First-Principles Density Functional Theory Modeling of Li Binding: Thermodynamics and Redox Properties of Quinone Derivatives for Lithium-Ion Batteries. Journal of the American Chemical Society. PMID 26824616 DOI: 10.1021/Jacs.5B13279 |
0.325 |
|
| 2016 |
Brunello GF, Lee JH, Lee SG, Choi JI, Harvey D, Jang SS. Interactions of Pt nanoparticles with molecular components in polymer electrolyte membrane fuel cells: multi-scale modeling approach Rsc Advances. 6: 69670-69676. DOI: 10.1039/C6Ra09274H |
0.731 |
|
| 2016 |
Moon HS, Yun JM, Kim KH, Jang SS, Lee SG. Investigations of the band structures of edge-defect zigzag graphene nanoribbons using density functional theory Rsc Advances. 6: 39587-39594. DOI: 10.1039/C6Ra03458F |
0.689 |
|
| 2015 |
Chun BJ, Lu J, Weck M, Jang SS. Characterization of molecular association of poly(2-oxazoline)s-based micelles with various epoxides and diols via the Flory-Huggins theory: a molecular dynamics simulation approach. Physical Chemistry Chemical Physics : Pccp. PMID 26463559 DOI: 10.1039/C5Cp03854E |
0.365 |
|
| 2015 |
Snow SD, Kim KC, Moor KJ, Jang SS, Kim JH. Functionalized fullerenes in water: a closer look. Environmental Science & Technology. 49: 2147-55. PMID 25632831 DOI: 10.1021/Es504735H |
0.389 |
|
| 2015 |
Choi JI, Snow SD, Kim JH, Jang SS. Interaction of C₆₀ with water: first-principles modeling and environmental implications. Environmental Science & Technology. 49: 1529-36. PMID 25602529 DOI: 10.1021/Es504614U |
0.376 |
|
| 2015 |
Koh W, Moon HS, Lee SG, Choi JI, Jang SS. A first-principles study of lithium adsorption on a graphene-fullerene nanohybrid system. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 16: 789-95. PMID 25536921 DOI: 10.1002/Cphc.201402675 |
0.705 |
|
| 2015 |
Abu-Hakmeh K, Sood P, Chun BJ, Choi JI, Jang SS. Effect of Uniaxial Deformation on Structure and Transport in Hydrated Nafion 117: Molecular Dynamics Simulation Study Materials Performance and Characterization. 4: 20150018. DOI: 10.1520/Mpc20150018 |
0.364 |
|
| 2015 |
Abu-Hakmeh K, Sohn YJ, Bae B, Jang SS. Nanophase-segregated structures and transport properties in sulfonated poly(arylene ether sulfone) multiblock copolymer membrane for proton exchange membrane fuel cell Journal of Computational and Theoretical Nanoscience. 12: 3330-3340. DOI: 10.1166/Jctn.2015.4122 |
0.384 |
|
| 2015 |
Shin WK, Yoo JH, Choi W, Chung KY, Jang SS, Kim DW. Cycling performance of lithium-ion polymer cells assembled with a cross-linked composite polymer electrolyte using a fibrous polyacrylonitrile membrane and vinyl-functionalized SiO2 nanoparticles Journal of Materials Chemistry A. 3: 12163-12170. DOI: 10.1039/C5Ta01436K |
0.303 |
|
| 2015 |
Koh W, Lee JH, Lee SG, Choi JI, Jang SS. Li adsorption on a graphene-fullerene nanobud system: Density functional theory approach Rsc Advances. 5: 32819-32825. DOI: 10.1039/C4Ra15619F |
0.715 |
|
| 2015 |
Chang Y, Mohanty AD, Smedley SB, Abu-Hakmeh K, Lee YH, Morgan JE, Hickner MA, Jang SS, Ryu CY, Bae C. Effect of Superacidic Side Chain Structures on High Conductivity Aromatic Polymer Fuel Cell Membranes Macromolecules. 48: 7117-7126. DOI: 10.1021/Acs.Macromol.5B01739 |
0.315 |
|
| 2015 |
Liu T, Kim KC, Kavian R, Jang SS, Lee SW. High-density lithium-ion energy storage utilizing the surface redox reactions in folded graphene films Chemistry of Materials. 27: 3291-3298. DOI: 10.1021/Acs.Chemmater.5B00314 |
0.303 |
|
| 2015 |
Chun BJ, Lee SG, Choi JI, Jang SS. Adsorption of carboxylate on calcium carbonate (10 1¯ 4) surface: Molecular simulation approach Colloids and Surfaces a: Physicochemical and Engineering Aspects. 474: 9-17. DOI: 10.1016/J.Colsurfa.2015.03.003 |
0.727 |
|
| 2015 |
Chun BJ, Choi JI, Jang SS. Molecular dynamics simulation study of sodium dodecyl sulfate micelle: Water penetration and sodium dodecyl sulfate dissociation Colloids and Surfaces a: Physicochemical and Engineering Aspects. 474: 36-43. DOI: 10.1016/J.Colsurfa.2015.03.002 |
0.4 |
|
| 2014 |
Han KW, Ko KH, Abu-Hakmeh K, Bae C, Sohn YJ, Jang SS. Molecular dynamics simulation study of a polysulfone-based anion exchange membrane in comparison with the proton exchange membrane Journal of Physical Chemistry C. 118: 12577-12587. DOI: 10.1021/Jp412473J |
0.347 |
|
| 2014 |
Kwon S, Choi JI, Lee SG, Jang SS. A density functional theory (DFT) study of CO2 adsorption on Mg-rich minerals by enhanced charge distribution Computational Materials Science. 95: 181-186. DOI: 10.1016/J.Commatsci.2014.07.042 |
0.709 |
|
| 2014 |
Koh W, Choi JI, Jeong E, Lee SG, Jang SS. Li adsorption on a Fullerene–Single wall carbon nanotube hybrid system: Density functional theory approach Current Applied Physics. 14: 1748-1754. DOI: 10.1016/J.Cap.2014.09.031 |
0.719 |
|
| 2014 |
Carson CG, Brunnello G, Lee SG, Jang SS, Gerhardt RA, Tannenbaum R. Structure solution from powder diffraction of copper 1,4- benzenedicarboxylate European Journal of Inorganic Chemistry. 2140-2145. DOI: 10.1002/Ejic.201301543 |
0.697 |
|
| 2013 |
Takahashi M, Nakajima M, Tagami J, Scheffel DL, Carvalho RM, Mazzoni A, Cadenaro M, Tezvergil-Mutluay A, Breschi L, Tjäderhane L, Jang SS, Tay FR, Agee KA, Pashley DH. The importance of size-exclusion characteristics of type I collagen in bonding to dentin matrices. Acta Biomaterialia. 9: 9522-8. PMID 23928333 DOI: 10.1016/J.Actbio.2013.07.037 |
0.32 |
|
| 2013 |
Chang Y, Brunello GF, Fuller J, Disabb-Miller ML, Hawley ME, Kim YS, Hickner MA, Jang SS, Bae C. Polymer electrolyte membranes based on poly(arylene ether sulfone) with pendant perfluorosulfonic acid Polymer Chemistry. 4: 272-281. DOI: 10.1039/C2Py20666H |
0.342 |
|
| 2013 |
Lee SG, Choi JI, Koh W, Jang SS. Adsorption of β-d-glucose and cellobiose on kaolinite surfaces: Density functional theory (DFT) approach Applied Clay Science. 71: 73-81. DOI: 10.1016/J.Clay.2012.11.002 |
0.708 |
|
| 2012 |
Lee SG, Pascal TA, Koh W, Brunello GF, Goddard WA, Jang SS. Deswelling Mechanisms of Surface-Grafted Poly(NIPAAm) Brush: Molecular Dynamics Simulation Approach The Journal of Physical Chemistry C. 116: 15974-15985. DOI: 10.1021/Jp301610B |
0.754 |
|
| 2012 |
Lee SG, Koh W, Brunello GF, Choi JI, Bucknall DG, Jang SS. Effect of monomeric sequence on transport properties of d-glucose and ascorbic acid in poly(VP-co-HEMA) hydrogels with various water contents: Molecular dynamics simulation approach Theoretical Chemistry Accounts. 131: 1-16. DOI: 10.1007/S00214-012-1206-Y |
0.734 |
|
| 2012 |
Ford ENJ, Minusa ML, Liu T, Choi JI, Jang SS, Kumar S. Influence of SWNTs on the Preferential Alignment of Molecular Moieties in PVA Fibers Macromolecular Chemistry and Physics. 213: 617-626. DOI: 10.1002/Macp.201100534 |
0.309 |
|
| 2011 |
Koh W, Choi JI, Donaher K, Lee SG, Jang SS. Mechanism of Li adsorption on carbon nanotube-fullerene hybrid system: a first-principles study. Acs Applied Materials & Interfaces. 3: 1186-94. PMID 21443264 DOI: 10.1021/Am200018W |
0.717 |
|
| 2011 |
Lee SG, Choi JI, Koh W, Jang SS, Kim J, Kim G. Effect of Temperature on Water Molecules in a Model Epoxy Molding Compound: Molecular Dynamics Simulation Approach Ieee Transactions On Components, Packaging and Manufacturing Technology. 1: 1533-1542. DOI: 10.1109/Tcpmt.2011.2160343 |
0.728 |
|
| 2011 |
Brunello GF, Mateker WR, Lee SG, Choi JI, Jang SS. Effect of temperature on structure and water transport of hydrated sulfonated poly(ether ether ketone): A molecular dynamics simulation approach Journal of Renewable and Sustainable Energy. 3: 43111. DOI: 10.1063/1.3608912 |
0.725 |
|
| 2011 |
Kim H, Jang SS, Kiehl RA, Goddard WA. Negative Differential Resistance of Oligo(Phenylene Ethynylene) Self-Assembled Monolayer Systems: The Electric-Field-Induced Conformational Change Mechanism The Journal of Physical Chemistry C. 115: 3722-3730. DOI: 10.1021/Jp1114916 |
0.616 |
|
| 2011 |
Koh W, Choi JI, Lee SG, Lee WR, Jang SS. First-principles study of Li adsorption in a carbon nanotube-fullerene hybrid system Carbon. 49: 286-293. DOI: 10.1016/J.Carbon.2010.09.022 |
0.715 |
|
| 2010 |
Kim HI, Kim H, Shin YS, Beegle LW, Jang SS, Neidholdt EL, Goddard WA, Heath JR, Kanik I, Beauchamp JL. Interfacial reactions of ozone with surfactant protein B in a model lung surfactant system. Journal of the American Chemical Society. 132: 2254-63. PMID 20121208 DOI: 10.1021/Ja908477W |
0.578 |
|
| 2010 |
Choi JI, Jang SS. Structural and electronic properties of sulfuric acid-doped single-walled carbon nanotube Journal of Computational and Theoretical Nanoscience. 7: 232-236. DOI: 10.1166/Jctn.2010.1352 |
0.302 |
|
| 2010 |
Lee SG, Jang SS, Kim J, Kim G. Distribution and diffusion of water in model epoxy molding compound: Molecular dynamics simulation approach Ieee Transactions On Advanced Packaging. 33: 333-339. DOI: 10.1109/Tadvp.2009.2033570 |
0.724 |
|
| 2010 |
Jeon IY, Choi JI, Lee SG, Chae HG, Jang SS, Kumar S, Baek JB. Sponge behaviors of functionalized few-walled carbon nanotubes Journal of Physical Chemistry C. 114: 14868-14875. DOI: 10.1021/Jp105918A |
0.712 |
|
| 2009 |
Lee SG, Brunello GF, Jang SS, Bucknall DG. Molecular dynamics simulation study of P (VP-co-HEMA) hydrogels: effect of water content on equilibrium structures and mechanical properties. Biomaterials. 30: 6130-41. PMID 19656562 DOI: 10.1016/J.Biomaterials.2009.07.035 |
0.727 |
|
| 2009 |
Lee SG, Brunello GF, Jang SS, Lee JH, Bucknall DG. Effect of monomeric sequence on mechanical properties of P(VP-co-HEMA) hydrogels at low hydration. The Journal of Physical Chemistry. B. 113: 6604-12. PMID 19358560 DOI: 10.1021/Jp8058867 |
0.697 |
|
| 2009 |
Kim H, Goddard WA, Jang SS, Dichtel WR, Heath JR, Stoddart JF. Free energy barrier for molecular motions in bistable [2]rotaxane molecular electronic devices. The Journal of Physical Chemistry. A. 113: 2136-43. PMID 19226131 DOI: 10.1021/Jp809213M |
0.608 |
|
| 2009 |
Choi J, Jang SS. Adhesion of a single-walled carbon nanotube on hydrogen-terminated silicon(111) surface: Molecular mechanics simulation approach Journal of Computational and Theoretical Nanoscience. 6: 1482-1486. DOI: 10.1166/Jctn.2009.1197 |
0.323 |
|
| 2009 |
Brunello G, Lee SG, Jang SS, Qi Y. A molecular dynamics simulation study of hydrated sulfonated poly(ether ether ketone) for application to polymer electrolyte membrane fuel cells: Effect of water content Journal of Renewable and Sustainable Energy. 1: 33101. DOI: 10.1063/1.3138922 |
0.749 |
|
| 2009 |
Kim H, Deng WQ, Goddard WA, Jang SS, Davis ME, Yan Y. Sodium diffusion through aluminum-doped zeolite BEA system: Effect of water solvation Journal of Physical Chemistry C. 113: 819-826. DOI: 10.1021/Jp804873S |
0.711 |
|
| 2008 |
George C, Yoshida H, Goddard WA, Jang SS, Kim YH. Charge transport through polyene self-assembled monolayers from multiscale computer simulations. The Journal of Physical Chemistry. B. 112: 14888-97. PMID 18947250 DOI: 10.1021/Jp061759L |
0.616 |
|
| 2008 |
van Duin AC, Merinov BV, Jang SS, Goddard WA. ReaxFF reactive force field for solid oxide fuel cell systems with application to oxygen ion transport in yttria-stabilized zirconia. The Journal of Physical Chemistry. A. 112: 3133-40. PMID 18348544 DOI: 10.1021/Jp076775C |
0.678 |
|
| 2007 |
Jang SS, Goddard WA, Kalani MY. Mechanical and transport properties of the poly(ethylene oxide)-poly(acrylic acid) double network hydrogel from molecular dynamic simulations. The Journal of Physical Chemistry. B. 111: 1729-37. PMID 17249716 DOI: 10.1021/Jp0656330 |
0.556 |
|
| 2007 |
Jang SS, Goddard WA. Structures and transport properties of hydrated water-soluble dendrimer-grafted polymer membranes for application to polymer electrolyte membrane fuel cells: Classical molecular dynamics approach Journal of Physical Chemistry C. 111: 2759-2769. DOI: 10.1021/Jp066014U |
0.566 |
|
| 2006 |
Jang SS, Goddard WA. Structures and properties of Newton black films characterized using molecular dynamics simulations. The Journal of Physical Chemistry. B. 110: 7992-8001. PMID 16610899 DOI: 10.1021/Jp056685C |
0.52 |
|
| 2006 |
Goddard W, Merinov B, Van Duin A, Jacob T, Blanco M, Molinero V, Jang SS, Jang YH. Multi-paradigm multi-scale simulations for fuel cell catalysts and membranes Molecular Simulation. 32: 251-268. DOI: 10.1080/08927020600599709 |
0.671 |
|
| 2006 |
Kim YH, Jang SS, Goddard WA. Possible performance improvement in [2]catenane molecular electronic switches Applied Physics Letters. 88. DOI: 10.1063/1.2195087 |
0.61 |
|
| 2005 |
Jang SS, Lin ST, Cagin T, Molinero V, Goddard WA. Nanophase segregation and water dynamics in the dendrion diblock copolymer formed from the Fréchet polyaryl ethereal dendrimer and linear PTFE. The Journal of Physical Chemistry. B. 109: 10154-67. PMID 16852231 DOI: 10.1021/Jp050125W |
0.747 |
|
| 2005 |
Jang SS, Jang YH, Kim YH, Goddard WA, Choi JW, Heath JR, Laursen BW, Flood AH, Stoddart JF, Nørgaard K, Bjørnholm T. Molecular dynamics simulation of amphiphilic bistable [2]rotaxane langmuir monolayers at the air/water interface. Journal of the American Chemical Society. 127: 14804-16. PMID 16231934 DOI: 10.1021/Ja0531531 |
0.645 |
|
| 2005 |
Kim YH, Jang SS, Goddard WA. Conformations and charge transport characteristics of biphenyldithiol self-assembled-monolayer molecular electronic devices: a multiscale computational study. The Journal of Chemical Physics. 122: 244703. PMID 16035789 DOI: 10.1063/1.1937391 |
0.635 |
|
| 2005 |
Kim YH, Jang SS, Jang YH, Goddard WA. First-principles study of the switching mechanism of [2]catenane molecular electronic devices. Physical Review Letters. 94: 156801. PMID 15904172 DOI: 10.1103/Physrevlett.94.156801 |
0.611 |
|
| 2005 |
Jang YH, Jang SS, Goddard WA. Molecular dynamics simulation study on a monolayer of half [2]rotaxane self-assembled on Au(111). Journal of the American Chemical Society. 127: 4959-64. PMID 15796562 DOI: 10.1021/Ja044762W |
0.534 |
|
| 2005 |
Jang SS, Jang YH, Kim YH, Goddard WA, Flood AH, Laursen BW, Tseng HR, Stoddart JF, Jeppesen JO, Choi JW, Steuerman DW, Deionno E, Heath JR. Structures and properties of self-assembled monolayers of bistable [2]rotaxanes on Au (111) surfaces from molecular dynamics simulations validated with experiment. Journal of the American Chemical Society. 127: 1563-75. PMID 15686390 DOI: 10.1021/Ja044530X |
0.64 |
|
| 2005 |
Kim Y, Jang SS, Goddard WA. Erratum: “Conformations and charge transport characteristics of biphenyldithiol self-assembled-monolayer molecular electronic devices: A multiscale computational study” [J. Chem. Phys. 122, 244703 (2005)] The Journal of Chemical Physics. 123: 169902. DOI: 10.1063/1.2101527 |
0.603 |
|
| 2004 |
Jang YH, Hwang S, Kim YH, Jang SS, Goddard WA. Density functional theory studies of the [2]rotaxane component of the Stoddart-heath molecular switch. Journal of the American Chemical Society. 126: 12636-45. PMID 15453797 DOI: 10.1021/Ja0385437 |
0.617 |
|
| 2004 |
Jang SS, Shiang-Tai L, Maiti PK, Blanco M, Goddard WA, Shuler P, Tang Y. Molecular dynamics study of a surfactant-mediated decane-water interface: Effect of molecular architecture of alkyl benzene sulfonate Journal of Physical Chemistry B. 108: 12130-12140. DOI: 10.1021/Jp048773N |
0.557 |
|
| 2004 |
Lin S, Jang SS, Çaǧın T, Goddard WA. Thermodynamic Stability of Zimmerman Self-Assembled Dendritic Supramolecules from Atomistic Molecular Dynamics Simulations The Journal of Physical Chemistry B. 108: 10041-10052. DOI: 10.1021/Jp037947I |
0.652 |
|
| 2004 |
Jang SS, Molinero V, Çaǧin T, Goddard WA. Nanophase-Segregation and Transport in Nafion 117 from Molecular Dynamics Simulations: Effect of Monomeric Sequence Journal of Physical Chemistry B. 108: 3149-3157. DOI: 10.1021/Jp036842C |
0.677 |
|
| 2004 |
Jang SS, Molinero V, Çagin T, Goddard WA. Effect of monomeric sequence on nanostructure and water dynamics in Nafion 117 Solid State Ionics. 175: 805-808. DOI: 10.1016/J.Ssi.2004.08.039 |
0.693 |
|
| 2003 |
Jang SS, Çaǧin T, Goddard WA. Effect of cyclic chain architecture on properties of dilute solutions of polyethylene from molecular dynamics simulations Journal of Chemical Physics. 119: 1843-1854. DOI: 10.1063/1.1580802 |
0.544 |
|
| 2003 |
Jang SS, Blanco M, Goddard WA, Caldwell G, Ross RB. The Source of Helicity in PerfluorinatedN-Alkanes Macromolecules. 36: 5331-5341. DOI: 10.1021/Ma025645T |
0.516 |
|
| 1999 |
Jo WH, Jang SS. Monte Carlo simulation of the order–disorder transition of a symmetric cyclic diblock copolymer system Journal of Chemical Physics. 111: 1712-1720. DOI: 10.1063/1.479431 |
0.309 |
|
| 1999 |
Jang SS, Jo WH. Analysis of the mechanical behavior of poly(trimethylene terephthalate) in an amorphous state under uniaxial extension–compression condition through atomistic modeling Journal of Chemical Physics. 110: 7524-7532. DOI: 10.1063/1.478655 |
0.303 |
|
| 1999 |
Jang SS, Jo WH. Analysis of the mechanical behavior of amorphous atactic poly(oxypropylene) by atomistic modeling Macromolecular Theory and Simulations. 8: 1-9. DOI: 10.1002/(Sici)1521-3919(19990101)8:1<1::Aid-Mats1>3.0.Co;2-N |
0.32 |
|
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