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| [[CNBT:News | <font face="trebuchet ms" style="color:#ffffff"> '''News''' </font>]] | | [[CNBT:News | <font face="trebuchet ms" style="color:#ffffff"> '''News''' </font>]] |
| [[CNBT:Links| <font face="trebuchet ms" style="color:#ffffff"> '''Links''' </font>]] | | [[CNBT:Links| <font face="trebuchet ms" style="color:#ffffff"> '''Links''' </font>]] |
| | [[CNBT:Contact| <font face="trebuchet ms" style="color:#ffffff"> '''Contact''' </font>]] |
| </center> | | </center> |
| </div><br> | | </div><br> |
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| ==Publications==
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| <blockquote> | | <blockquote> |
| <biblio>
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| <li Adhesion of a Single-walled Carbon Nanotube on Hydrogen-terminated Silicon (111) Surface: Molecular Mechanics Simulation Approach<br>
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| Ji Il Choi and <B><u> Seung Soon Jang</u></B><br>
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| <i>Journal of Computational and Theoretical Nanoscience</i> accepted.<br>
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| <br>
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| <li>Probing Air-Liquid Interfacial Chemistry of Phospholipid Monolyers: Interactions and Reactivity of Surfactant Protein B in a Lipid Monolayer<br>
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| Hugh I. Kim, Hyungjun Kim, Young Shik Shin, Evan Neidholdt, Luther W. Beegle, <B> Seung Soon Jang</B>, James R. Heath, William A. Goddard III, Isik Kanik, and <u>J. L. Beauchamp</u> <br>
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| <i>Nature Chemistry</i> submitted.<br>
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| <br>
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| <li>Distribution and Diffusion of Water in Epoxy Molding Compound: Molecular Dynamics Simulation Approach<br>
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| Seung Geol Lee,<B><u> Seung Soon Jang</u></B>, Jongman Kim and Gene Kim <br>
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| <i>IEEE Transactions on Advanced Packaging</i> submitted. <br>
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| <br>
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| <li>A Molecular Dynamics Study of Hydrated Sulfonated Poly (Ether Ether Ketone) for Application to Polymer Electrolyte Membrane Fuel Cells: Effect of Water Content<br>
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| Giuseppe Brunello, Seung Geol Lee and <B><u> Seung Soon Jang</u></B> and Yue Qi<br>
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| <i>Journal of Renewable and Sustainable Energy</i> submitted. <br>
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| <br>
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| <li>Negative Differential Resistance of Self-Assembled Monolayer of Oligo (Phenylene Ethynylene) on Au Surface: Electric Field Induced Conformational Change Mechanism<br>
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| Hyungjun Kim, <u>William A. Goddard III</u>, <B><u> Seung Soon Jang</u></B> and Richard A. Kiehl<br>
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| <i>Nature</i> in preparation. <br>
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| <br>
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| <li>The Free Energy Barrier of Molecualr Motions in Bistable [2]Rotaxane Molecualr Electronics Devices<br>
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| Hyungjun Kim, <u>William A. Goddard III</u>, <B><u> Seung Soon Jang</u></B>, William R. Dichtel, James R. Heath, and J. Fraser Stoddart<br><i>J. Phys. Chem. A</i> accepted.<br>
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| <br>
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| <li>Effect of Monomeric Sequence on Mechanical Properties of P(VP-co-HEMA) Hydrogels at Low Hydration: Molecular Dynamics Simulation Approach<br>
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| Seung Geol Lee, Giuseppe F. Brunello, <B><u> Seung Soon Jang</u></B>, J. Hannah Lee, David G. Bucknall<br>
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| <i>J. Phys. Chem. B</i> submitted.<br>
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| <br>
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| <li>Sodium Diffusion through Aluminum Doped Zeolite BEA System: Effect of Water Solvation<br>
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| Hyungjun Kim, Wei-Qiao Deng, <u>William A. Goddard III</u>,<B><u> Seung Soon Jang</u></B>, Mark E. Davis, Yushan Yan<br>
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| <i>J. Phys. Chem. C</i> <b>113</b>, 819 (2009).<br>
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| <br>
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| <li>Charge Transport through Polyene Self-Assembled Monolayers from Multiscale Computer Simulations<br>
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| Christopher George, Hidehiro Yoshida,<u> William A. Goddard III</u>,<B> Seung Soon Jang</B> and Yong-Hoon Kim<br><i>J. Phys. Chem. B</i> <b>112</b>, 14888 (2008).<br>
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| <br>
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|
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| <li>ReaxFF Reactive Force Field for Solid Oxide Fuel Cell Systems with Application to Oxygen Ion Transport in Yttria-Stabilized Zirconia<br>
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| Adri C. T. van Duin, Boris V. Merinov,<B> Seung Soon Jang</B> and <u> William A. Goddard III</u><br>
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| <i>J. Phys. Chem. A</i> <b>112</b>, 3133 (2008).<br>
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| <br>
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|
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| <li>Mechanical and Transport Properties of Poly (Ethylene Oxide) - Poly (Acrylic Acid) Double Network Hydrogel: Molecular Dynamic Simulation Approach [Additions and Corrections] <br>
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| <B> Seung Soon Jang</B>,<u> William A. Goddard III</u>, Yashar Kalani, David Myung, and Curtis W. Frank<br>
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| <i>J. Phys. Chem. B</i> <b>111</b>, 14440 (2007).<br>
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| <br>
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|
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| <li>Mechanical and Transport Properties of Poly (Ethylene Oxide) - Poly (Acrylic Acid) Double Network Hydrogel: Molecular Dynamic Simulation Approach<br>
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| <B> Seung Soon Jang</B>,<u> William A. Goddard III</u> and Yashar Kalani<br>
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| <i>J. Phys. Chem. B</i> <b>111</b>, 1729 (2007).<br>
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| <br>
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| <li>Structures and Transport Properties of Hydrated Water-Soluble Dendrimer-Grafted Polymer Membranes for Application to Polymer Electrolyte Membrane Fuel Cells: Classical Molecular Dynamics Approach<br>
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| <B> Seung Soon Jang</B> and<u> William A. Goddard III</u><br>
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| <i>J. Phys. Chem. C</i> <b>111</b>, 2759 (2007).<br>
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| <br>
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| <li>Multi-paradigm multi-scale simulations for fuel cell catalysts and membranes<br>
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| <u> William A. Goddard III</u>, Boris Merinov, Adri van Duin, Timo Jacob, Mario Blanco, Valeria Molinero, <B> Seung Soon Jang</B>, Yun Hee Jang<br>
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| <i>Molecular Simulation</i> <b>32</b>, 251 (2006).<br>
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| <br>
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|
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| <li>Possible Performance Improvement in [2]Catenane Molecular electronic Switches<br>
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| Yong-Hoon Kim, <B> Seung Soon Jang</B>, and <u> William A. Goddard III</u> <br>
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| <i>Appl. Phys. Lett.</i> <b>88</b>, 163112 (2006).<br>
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| <br>
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| <li>Structures and Properties of Newton Black Films: Molecular Dynamics Simulation Approach<br>
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| <B> Seung Soon Jang</B> and<u> William A. Goddard III</u><br>
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| <i>J. Phys. Chem. B</i> <b>110</b>, 7992 (2006).<br>
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| <br>
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| <li>Molecular Dynamics Simulation of Amphiphilic Bistable [2]Rotaxane Langmuir Monolayer at Air/Water Interface<br>
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| <B> Seung Soon Jang</B>, Yun Hee Jang, Yong-Hoon Kim, <u> William A. Goddard III</u>, Jang Wook Choi, James R. Heath, A. H. Flood, B. W. Laursen, J. F. Stoddart <br>
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| <i>J. Am. Chem. Soc.</i> <b>127</b>, 14804 (2005).<br>
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| <br>
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| <li>Conformations and charge transport characteristics of biphenyldithiol self-assembled-monolayer molecular electronic devices: A multiscale computational study<br>
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| Yong-Hoon Kim, <B> Seung Soon Jang</B>, and <u> William A. Goddard III</u>,<br>
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| <i>J. Chem. Phys.</i> <b>122</b>, 244703 (2005). <br>
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| <font color="red">[selected for the July 11, 2005 issue of Virtual Journal of Nanoscale Science & Technology]</font color><br>
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| <br>
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| <li>Nanophase-segregation and water dynamics in the dendrion diblock copolymer formed from polyaryl ethereal dendrimer and linear PTFE<br>
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| <B> Seung Soon Jang</B>, Shiang-Tai Lin, Tahir Cagin, Valeria Molinero and <u> William A. Goddard III</u><br>
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| <i>J. Phys. Chem. B</i> <b>109</b>, 10154 (2005).<br>
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| <br>
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|
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| <li>First-principles study of the switching mechanism of [2]catenane molecular electronic devices<br>
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| Yong-Hoon Kim, <B> Seung Soon Jang</B>, Yun Hee Jang, and <u> William A. Goddard III</u><br>
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| <i>Phys. Rev. Lett.</i> <b>94</b>, 156801 (2005).<br>
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| <font color="red">[selected for the May 2, 2005 issue of Virtual Journal of Nanoscale Science & Technology]</font color><br>
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| <br>
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|
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| <li>Molecular Dynamics Simulation Study on a Monolayer of Half [2]Rotaxane Self-Assembled on Au(111)<br>
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| Yun Hee Jang, <B> Seung Soon Jang</B> and <u> William A. Goddard III</u><br>
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| <i>J. Am. Chem. Soc.</i> <b>127</b>, 4959 (2005).<br>
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| <br>
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|
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| <li>Structures and Properties of Self-Assembled Monolayers of Bistable [2]Rotaxanes on Au (111) Surfaces from Molecular Dynamics Simulations Validated with Experiment<br>
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| <B> Seung Soon Jang</B>, Yun Hee Jang, Yong-Hoon Kim,<u> William A. Goddard III</u>, A. H. Flood, B. W. Laursen, H.-R. Tseng, J. F. Stoddart, Jan O. Jeppesen, Jang Wook Choi, David W. Steuerman, Erica DeIonno, James R. Heath <br>
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| <i>J. Am. Chem. Soc.</i> <b>127</b>, 1563 (2005).<br>
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| <br>
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|
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| <li>Molecular dynamics study of surfactant-mediated decane/water interface: Effect of molecular architecture of alkyl benzene sulfonate<br>
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| <B> Seung Soon Jang</B>, Shiang-Tai Lin, Prabal K. Maiti, Mario Blanco, <u> William A. Goddard III</u>, Patrick Shuler and Yongchun Tang,<br>
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| <i>J. Phys. Chem. B</i> <b>108</b>, 12130 (2004).<br>
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| <br>
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|
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| <li>Density Functional Theory Studies of the [2] Rotaxane Component of the Stoddart-Heath Molecular Switch<br>
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| Yun Hee Jang, Sungu Hwang, Yong-Hoon Kim, <B> Seung Soon Jang</B>, and <u> William A. Goddard III</u>,<br>
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| <i>J. Am. Chem. Soc.</i> <b>126</b>,12636 (2004).<br>
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| <br>
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|
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| <li>Thermodynamic stability of Zimmerman self-assembled Supramolecules from atomistic molecular dynamics simulations<br>
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| Shiang-Tai Lin, <B> Seung Soon Jang</B>, Tahir Cagin and<u> William A. Goddard III</u>,<br>
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| <i>J. Phys. Chem. B</i> <b>108</b>, 10041 (2004).<br>
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| <br>
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|
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| <li>Nanophase-Segregation and Transport in Nafion 117 from Molecular Dynamics Simulations: Effect of Monomeric Sequence<br>
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| <B> Seung Soon Jang</B>, Valeria Molinero, Tahir Cagin, and<u> William A. Goddard III</u>,<br>
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| <i>J. Phys. Chem. B</i> <b>108</b>, 3149 (2004).<br>
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| <br>
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|
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| <li>Effect of monomeric sequence on nanostructure and water dynamics in Nafion 117<br>
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| <B> Seung Soon Jang</B>, Valeria Molinero, Tahir Cagin, and <u> William A. Goddard III</u>,<br>
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| <i>Solid State Ionics</i> <b>175</b>,805 (2004).<br>
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| <br>
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|
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| <li>Effect of Cyclic Chain Architecture on Properties of Dilute Solutions of Polyethylene from Molecular Dynamics Simulations<br>
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| <B> Seung Soon Jang</B>, Tahir Cagin and <u> William A. Goddard III</u>,<br>
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| <i> J. Chem. Phys.</i> <b>119</b>, 1843 (2003).<br>
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| <br>
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|
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| <li>The Source of Helicity in Perfluorinated n-Alkane<br>
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| <B> Seung Soon Jang</B>, Mario Blanco, <u> William A. Goddard III</u>, Gregg Caldwell and Richard B. Ross<br>
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| <i> Macromolecules</i><b> 36</b>, 5331 (2003).<br>
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| <br>
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|
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| <li>Off-lattice Monte Carlo Simulation of Hyperbranched Polymers.1. Polycondensation of AB2 type monomer<br>
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| Yong Uk Lee, <B> Seung Soon Jang</B> and <u>Won Ho Jo</u>,<br>
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| <i>Macromol. Theory Simul.</i> <b>9</b>, 188 (2000).<br>
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| <br>
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|
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| <li>Homogenization process caused by competition between phase separation and ester-interchange reactions in immiscible polyester blends:A Monte Carlo simulation<br>
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| Ji Ho Youk, <B> Seung Soon Jang</B> and <u>Won Ho Jo</u>,<br>
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| <i>J. Polym. Sci.: Part B: Polym. Phys.</i> <b>38</b>, 590 (2000).<br>
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| <br>
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|
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| <li>Phase Transformation of Poly(trimethylene terphthalate) in Crystalline State: An Atomistic Modeling Approach<br>
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| <B> Seung Soon Jang</B> and <u>Won Ho Jo</u>,<br>
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| <i>Fibers and Polymers</i> <b>1</b>,18 (2000).<br>
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| <br>
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|
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| <li>Monte Carlo Simulation of the Order-Disorder Transition of Symmetric Cyclic Diblock Copolymer System<br>
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| <u>Won Ho Jo</u> and <B> Seung Soon Jang</B>,<br>
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| <i>J. Chem. Phys.</i> <b>111</b>, 1712 (1999).<br>
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| <br>
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|
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| <li>The Effects of Ester Interchange Reactions on the Phase Behavior of an Immiscible Polyester Blend: Monte Carlo Simulation<br>
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| <u>Won Ho Jo</u>, Jong Geun Kim, <B> Seung Soon Jang</B>, and Ji Ho Youk,<br>
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| <i>Macromolecules</i> <b>32</b>, 1679 (1999).<br>
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| <br>
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|
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| <li>Analysis of the Mechanical Behavior of Poly(trimethylene terephthalate) in an Amorphous State under Uniaxial Extension/Compression Condition through Atomistic Modeling<br>
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| <B> Seung Soon Jang</B> and <u>Won Ho Jo</u>,<br>
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| <i>J. Chem. Phys.</i> <b>110</b>, 7524 (1999).<br>
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| <br>
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|
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| <li>Yielding and Plasic Behavior of Amorphous Atactic Poly(oxypropylene) under Uniaxial Compression: An Atomistic Modeling Approach<br>
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| <B> Seung Soon Jang</B> and <u>Won Ho Jo</u>,<br>
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| <i>Polymer</i> <b>40</b>, 915 (1999).<br>
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| <br>
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|
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| <li>Analysis of the Mechanical Behavior of Amorphous Atactic Poly(oxypropylene) by Atomistic Modeling<br>
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| <B> Seung Soon Jang</B> and <u>Won Ho Jo</u>,<br>
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| <i>Macromol. Theory Simul.</i> <b>8</b>, 1 (1999).<br>
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| <br>
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|
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| <li>A Monte Carlo Simulation of Ester Interchange Reaction in Miscible Polyester Blends<br>
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| Ji Ho Youk, <B> Seung Soon Jang</B>, Chong Rae park, and <u>Won Ho Jo</u>,<br>
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| <i>Polymer (Korea)</i> <b>22</b>, 651 (1998).<br>
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| <br>
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| <li>Monte Carlo Simulation of Copolymerization by Ester Interchange reaction in Miscible Polyester Blends<br>
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| <B> Seung Soon Jang</B>, Wan Shik Ha, <u>Won Ho Jo</u>, Ji Ho Youk, Jun Ho Kim, and Chong Rae Park,<br>
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| <i>J. Polym. Sci.: Part B: Polym. Phys.</i> <b>36</b>, 1637 (1998).<br>
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| <br>
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|
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| <li>Preparation of Poly(ethylene terephthalate-co-isophthalate) by Ester Interchange reaction in the PET/ PEI Belnd System<br>
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| Wan Shik Ha, Yong Kun Chun, <B> Seung Soon Jang</B>, Do Mook Rhee, And <u>Chong Rae Park</u>,<br>
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| <i>J. Polym. Sci.: Part B: Polym. Phys.</i> <b>35</b>, 309 (1997).<br>
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| <br>
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|
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| <li>Effect of Diphenyl Terephthalate on the Polycondensation Reaction of Bis(2-hydroxyethyl) Terephthalate<br>
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| <B> Seung Soon Jang</B>, <u>Wan Shik Ha</u>, Jun Shik Cho, and Chung Yup Kim,<br>
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| <i>J. Korean Fiber Soc.</i> <b>32</b>, 260 (1995).<br>
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| <br>
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|
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| </biblio>
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| </blockquote>
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