Publications

  • Publications
  • posted 2016-10-18 17:40:41 by cmmm

        • 2020
        1. Supriyo Naskar, Suman Saurabh, Yun Hee Jang, Yves Lansac, Prabal K. Maiti, Liquid crystal ordering of nucleic acids, Soft Matter, 16 (3), 634-641 (January 21, 2020)

        2. Suman Saurabh, Yun Hee Jang, Yves Lansac, Prabal K. Maiti, Orientation Dependence of Inter-NCP Interaction: Insights into the Behaviour of Liquid Crystal Phase and Chromatin Fiber Organisation, J. Phys. Chem. B, 124 (2) 314-323 (January16, 2020)

        • 2019
        1. Chang-Geun Chae, In-Gyu Bak, Yves Lansac, Shashadhar Samal, Yun Hee Jang, Jae-Suk Lee, Living initiator-transfer anionic polymerization of isocyanatesby sodium diphenylamide, Macromolecules, 52 (23), 9354-9363 (November 26, 2019)

        2. Syed Zahid Hassan, Hyung Jin Cheon, Changwon Choi, Seongwon Yoon, Mingyun Kang, Jangwhan Cho, Yun Hee Jang, Soon-ki Kwon, Dae Sung Chung, Yun-Hi Kim, Molecular engineering of donor-acceptor polymer to realize a single bond absorption toward red-selective thin film organic photodiode, ACS Appl. Mater. Interfaces, 11 (31), 28106-28114 (July 17, 2019)

        3. Roshith Roshan Kuruppathparambil, Robin Banu, Hochan Jeong, Yun Hee Jang, Mi Hye Lee, Dae-Won Park, Room Temperature CO2 fixation via cyclic carbonate synthesis over vanadium-MOF catalysts, Korean J. Chem. Eng., 36 (5), 643-649 (May 8, 2019) 

        • 2018
        1. Jaeho Shin, Kyungyeol Gu, Seunghoon Yang, ChulHo Lee, Takhee Lee, Yun Hee Jang, Gunuk Wang, Correlational Effects of the Molecular-Tilt Configuration and the Intermolecular van der Waals Interaction on the Charge Transport in the Molecular Junction, Nano Lett., 18 (7), 4322–4330 (July 11, 2018) [link]

        1. Myungwoo Son, Yusin Pak, Sang-Soo Chee, Francis Malar Auxilia, Kihyeun Kim, Byung-Kee Lee, Sungeun Lee, Sun Kil Kang, Chaedeok Lee, Jeong Soo Lee, Ki Kang Kim, Yun Hee Jang, Byoung Hun Lee, Gun Young Jung, Moon-Ho Ham, Charge Transfer of Graphene/Polymer Interfaces for CO2 Detection, Nano Res. 11 (7), 3529-3536 (July 1, 2018) [link]

        1. Minkyeong Shin, Minji Gu, Sung Soo Lim, Min-Jae Kim, JuHyung Lee, HyeongGyu Jin, Yun Hee Jang, Byunghyuck Jung, Cu(I)-Catalyzed Enantioselective Alkyl 1,4-Additions to (E)-Nitroalkenes and Cyclic Enones with Phosphino-Oxazoline Ligands, Eur. J. Org. Chem., 2018 (24), 3122-3130 (June 29, 2018) [link] 

        1. Seongjin Park, Yves Lansac, Yun Hee Jang, Sub-nanometer Pore Formation in Single-Molecule-Thick Polyurea Molecular-Sieving Membrane: a Computational Study, Phys. Chem. Chem. Phys. 2018, 20, 16463-16468 (June 28, 2018) [link]

        1. Ambroise de Izarra, Seongjin Park, Jinhee Lee, Yves Lansac, Yun Hee Jang, Ionic Liquid Designed for PEDOT:PSS Conductivity Enhancement, J. Am. Chem. Soc. 140 (16), 5375-5384 (April 25, 2018) [link]

        1. Jaeho Jeon, Yereum Park, Seunghyuk Choi, Jinhee Lee, Sung Soo Lim, Byoung Hun Lee, Young Jae Song, Jeong Ho Cho, Yun Hee Jang, Sungjoo Lee, Epitaxial Synthesis of Molybdenum Carbide and Formation of a Mo2C/MoS2 Hybrid Structure via Chemical Conversion of Molybdenum Disulfide, ACS Nano, 12 (1), 338-346 (January 23, 2018) [link]

        • 2017
        1. Robin Babu, Roshith Roshan, Yeongrok Gim, Yun Hee Jang, Jintu Francis Kurisingal, Dong Woo Kim, Dae-Won Park, Inverse relation of dimensionality and catalytic activity in CO2 transformation: A systematic investigation by comparing multidimensional metal-organic frameworks, J. Mater. Chem. A. 5(30), 15961-15969 (August 14, 2017) [link]

        1. Sung-Chul Lim, Jinhee Lee, Hunho H. Kwak, Jongwook W. Heo, Munseok S. Chae, Docheon Ahn, Yun Hee Jang, Hochun Lee, Seung-Tae Hong, Unraveling the Magnesium-Ion Intercalation Mechanism in Vanadium Pentoxide in a Wet Organic Electrolyte by Structural Determination, Inorg. Chem. 56(14), 7668-7678 (July 17, 2017) [link]

        1. Taekhee Ryu, Yves Lansac, Yun Hee Jang: Shuttlecock-Shaped Molecular Rectifier: Asymmetric Electron Transport Coupled with Controlled Molecular Motion, Nano Lett. 17(7) 4061-4066 (July 12, 2017) [link]

        1. Suman Saurabh, Yves Lansac, Yun Hee Jang, Matthew A. Glaser, Noel A. Clark, Prabal K. Maiti: Understanding the Origin of Liquid Crystalline Ordering of Ultrashort Double Stranded DNA, Phys. Rev. E 95, 032702 (March 16, 2017) [link]

        1. Razmjooei, Fatemeh ; Singh, Kiran; Yang, Dae-Soo; Cui, Wei; Jang, Yun Hee; Yu, Jong-Sung: Fe-Treated Heteroatom (S/N/B/P)-Doped Graphene Electrocatalysts for Water Oxidation, ACS Catal. 7(4), 2381–2391 (Februrary 16, 2017) [link]

        • 2016
        1. Minseon Byeon, Jae-Sung Bae, Seongjin Park, Yun Hee Jang, Ji-Woong Park: Biomimetic Liquid-Sieving through Covalent Molecular Meshes, Chem. Mater. 28 (21), 8044-8050 (November 8, 2016) [link]

        1. Seyoung Kee, Nara Kim, Bong Seong Kim, Seongjin Park, Yun Hee Jang, Seoung Ho Lee, Sooncheol Kwon, Jehan Kim, Junghwan Kim, Kwanghee Lee: Controlling Molecular Ordering in Aqueous Conducting Polymers Using Ionic Liquids, Adv. Mater. 28 (39), 8625-8631 (October 19, 2016) [link]

        1. Jaeho Jeon, Jinhee Lee, Gwangwe Yoo, Jin-Hong Park, Geun Young Yeom, Yun Hee Jang, Sungjoo Lee: Size-tunable synthesis of monolayer MoS2 nanoparticles and their applications in non-volatile memory devices, Nanoscale 8 (38), 16995-17003 (October 14, 2016) [link]

        1. Wei Cui, Yves Lansac, Hochun Lee, Seung-Tae Hong, Yun Hee Jang: Lithium Ion Solvation by Ethylene Carbonates in Lithium-Ion Battery Electrolytes, Revisited by Density Functional Theory with Hybrid Solvation Model and Free Energy Correction in Solution, Phys. Chem. Chem. Phys. 18 (34) 23607-23612 (September 14, 2016) [link]

        1. Yeongrok Gim, Daekyeom Kim, Minkyu Kyeong, Seunghwan Byun, Yuri Park, Sooncheol Kwon, Heejoo Kim, Sukwon Hong, Yves Lansac, Yun Hee Jang: D-A-D-Type Narrow-Bandgap Small-Molecule Photovoltaic Donors: Pre-Synthesis Virtual Screening by Density Functional Theory, Phys. Chem. Chem. Phys. 18 (22) 15054-15059 (June 14, 2016) [link]

        1. Hyung-Youl Park, Woo-Shik Jung, Dong-Ho Kang, Jinhee Lee, Yun Hee Jang, Jaeho Lee, Seongjun Park, Hyun-Yong Yu, Byungha Shin, Sungjoo Lee, Jin-Hong Park: Extremely Low Contact Resistance on Graphene through n-type Doping and One-dimensional Contact Design, Adv. Mater. 28, 864-870 (February 3, 2016) [link]

        1. Jamin Ku, Yeongrok Gim, Yves Lansac, Yun Hee Jang: N-Alkylthienopyrroledione versus Benzothiadiazole Pulling Units in Push-Pull Copolymers Used for Photovoltaic Applications: Density Functional Theory Study, Phys. Chem. Chem. Phys. 18, 1017-1024 (January 14, 2016) [link]

        1. Jin Ho Yang, Taekhee Ryu, Yves Lansac, Yun Hee Jang, Byoung Hun Lee: Shear stress-induced enhancement of the piezoelectric properties of PVDF-TrFE thin films, Org. Electron. 28, 67-72 (January 1, 2016) [link]

        • 2015
        1. Nodo Lee, Yves Lansac, Hyun-sang Hwang, Yun Hee Jang: Switching Mechanism of Al/La1-xSrxMnO3 Resistance Random Access Memory. I. Oxygen Vacancy Formation in Perovskites, RSC Adv. 5, 102772-102779 (December 31, 2015) [link]

        1. In Hyun Song, Seung Won Shin, Kyung Soo Park, Yves Lansac, Yun Hee Jang, Soong Ho Um: Enzyme-Guided DNA Sewing Architecture, Sci. Rep. 5, 17722 (December 4, 2015) [link]

        1. Jamin Ku, Suhee Song, Sung Heum Park, Kwanghee Lee, Hongsuk Suh, Yves Lansac, Yun Hee Jang: Palladium-Assisted Reaction of 2,2-Dialkylbenzimidazole and Its Implication to Organic Solar Cell Performances, J. Phys. Chem. C, 119 (25), 14063-14075 (June 25, 2015) [link]

        1. Dong-Ho Kang, Jaewoo Shim, Sung Kyu Jang, Jeaho Jeon, Min Hwan Jeon, Geun Young Yeom, Woo-Shik Jung, Yun Hee Jang, Sungjoo Lee, Jin-Hong Park: Controllable Nondegenerate p-Type Doping of Tungsten Diselenide by Octadecyltrichlorosilane, ACS Nano 9 (2), 1099-1107 (February 24, 2015) [link]

        1. Hansu Hwang, Dongyoon Khim, Jin-Mun Yun, Eunhwan Jung, Soo-Young Jang, Yun Hee Jang, Yong-Young Noh, Dong-Yu Kim: Quinoidal Molecules as a New Class of Ambipolar Semiconductors Originated from Amphoteric Redox Behavior, Adv. Funct. Mater. 25 (7), 1146-1156 (February 18, 2015) [link]

        1. Jaeho Jeon, Sung Kyu Jang, Su Min Jeon, Gwangwe Yoo, Yun Hee Jang, Jin-Hong Park, Sungjoo Lee: Layer-controlled CVD growth of large-area two-dimensional MoS2 films, Nanoscale. 7 (5), 1688-1695 (February 7, 2015) [link]

        • 2014
        1. Soo-Young Jang, In-Bok Kim, Jihong Kim, Dongyoon Khim, Eunhwan Jung, Boseok Kang, Bogyu Lim, Yeong-A Kim, Yun Hee Jang, Kilwon Cho, Dong-Yu Kim: New D-D Type Copolymers with Rigid and Coplanar Struc-tures for High-Mobility OFETs, Chem. Mater. 26 (24), 6907-6915 (December 23, 2014) [link]

        1. Yun Hee Jang, Yves Lansac, Jae-Ki Kim, Hee-Soo Yoo, Chang Geun Chae, Cheol Ho Choi, Shashadhar Samal, Jae-Suk Lee: Dual Function of living polymerization initiator through Formation of chain-end-protecting cluster: density functional calculations, Phys. Chem. Chem. Phys. 16 (45), 24929-24935 (December 7, 2014) [link]

        1. Nodo Lee, Jinhee Lee, Taekhee Ryu, Youngjune Kim, Yves Lansac, Yun Hee Jang: Doping graphene with ferroelectric beta-PVDF polymer film: Density functional theory calculation and molecular dynamics simulation, Sci. Adv. Mater. 6 (11), 2422-2427 (November, 2014) [link]

        1. Taekhee Ryu, Nodo Lee, Eunhwan Jung, Yves Lansac, Yun Hee Jang: Shuttlecock-Shaped Pentaarylfullerenes Self-Assembled on Au: Molecular Dynamics Simulation of a Molecular Rectifier, Sci. Adv. Mater. 6 (11), 2416-2421 (November, 2014) [link]

        1. Jinhee Lee, Nodo Lee, Yves Lansac, Yun Hee Jang: Charge inhomogeneity of graphene on SiO2: Dispersion-corrected density functional theory study on the effect of reactive surface sites, RSC Adv. 4, 37236-37243 (August 1, 2014) [link]

        1. Hyunhak Jeong, Dongku Kim, Gunuk Wang, Sungjun Park, Hanki Lee, Kyungjune Cho, Wang-Taek Hwang, Myung-Han Yoon, Yun Hee Jang, Hyunwook Song, Dong Xiang, Takhee Lee: Redox-induced abnormal electrical characteristics of ferrocene-alkanethiolate molecular devices on rigid and flexible substrates, Adv. Funct. Mater. 24 (17), 2472-2485 (May 2, 2014) [link]

        1. Gunuk Wang, Hyunhak Jeong, Jamin Ku, Seok-In Na, Hungu Kang, Eisuke Ito, Yun Hee Jang, Jaegeun Noh, Takhee Lee: Effect of molecular desorption on the electronic properties of self-assembled polarizable molecular monolayers. J. Colloid Interf. Sci. 419, 39-45 (April 1, 2014). [link]

        • 2010~2013
        1. Nabiha I. Abdo, Jamin Ku, (co-first authors) Ashraf A. El-Shehawy, Hee-Sang Shim, Joon-Keun Min, Ahmed A. El-Barbary, Yun Hee Jang, Jae-Suk Lee: Synthesis and characterization of low bandgap pi-conjugated copolymers incorporating 4,7-bis(3,3'/4,4'-hexylthiophene-2-yl)benzo[c][2,1,3]thiadiazole Units for photovoltaic application, J. Mater. Chem. A 1 (35), 10306-10317 (September 21, 2013) 

        1. Hyung-Gu Jeong, Dongyoon Khim, Eunhwan Jung, Jin-Mun Yun, Juhwan Kim, Jamin Ku, Yun Hee Jang, Dong-Yu Kim: Synthesis and characterization of a novel ambipolar polymer semiconductor based on a fumaronitrile core as an electron-withdrawing group, J. Polym. Sci. A: Polym. Chem. 51 (5), 1029-1039 (March 1, 2013) 

        1. Yong-Jae Lee, Yun Hee Jang, Yongseong Kim, Sungu Hwang: Density functional theoretical study on the acid dissociation constant of an emissive analogue of guanine, Bull. Korean Chem. Soc. 33 (12), 4255-4257 (December 20, 2012) 

        1. Jamin Ku, Daekyun Kim, Taekhee Ryu, Eunhwan Jung, Yves Lansac, Yun Hee Jang: Time-dependent density functional theory study on cyclopentadithiophene-benzothiadiazole-based push-pull-type copolymers for new design of donor materials in bulk heterojunction organic solar cells, Bull. Korean Chem. Soc. (Festschrift Prof. Kook Joe Shin) 33 (3), 1029-1036 (March 20, 2012) 

        1. Seung-Jae Jung, Manzar Siddik, Wootae, Lee, Ju-Bong Park, Xinjun Liu, Jiyong Woo, Godeuni Choi, Joon-myoung Lee, Nodo Lee, Yun Hee Jang, Hyun-Sang Hwang: Thermally-assisted Ti/Pr(0.7)Ca(0.3)MnO(3) ReRAM with excellent switching speed and retention characteristic, IEEE International Electron Device Meeting (IEDM) 3.6.1-3.6.4 (December 7, 2011) 

        1. Jamin Ku, Yves Lansac, Yun Hee Jang: Time-dependent density functional theory study on benzothiadiazole-based low-band-gap fused-ring copolymers for organic solar cell applications, J. Phys. Chem. C 115 (43), 21508-21516 (November 3, 2011) 

        1. Gunuk Wang, Yonghun Kim, Seok-In Na, Yung Ho Kahng, Jamin Ku, Sungjun Park, Yun Hee Jang, Dong-Yu Kim, Takhee Lee: Investigation of the transition voltage spectra of molecular junctions considering frontier molecular orbitals and the asymmetric coupling effect, J. Phys. Chem. C 115 (36), 17979-17985 (September 15, 2011) 

        1. Yun Hee Jang, Sungu Hwang, Keunchang Cho,Manho Lim, Taiha Joo, Suhee Choi, Jongwon Kim, Sang Woo Joo: Reversible adsorption change of 2-amino-4,5-imidazoledicarbonitrile on Agelectrode surfaces by potential-dependent surface-enhanced Raman scattering, Surf. Interface Anal. 43 (3), 757-762 (March, 2011) 

        1. Nodo Lee, Yves Lansac, Yun Hee Jang: Aluminum oxide formation at Al/La(1-x)Sr(x)MnO(3) interface: a computational study for resistance random access memory applications, J. Nanosci. Nanotechnol. 11 (1), 339-343 (January 1, 2011) 

        1. Yongseong Kim, Yun Hee Jang, Hyun Cho, Sungu Hwang: Tautomers and acid dissociation constants of 6-selenoguanine from density functional theoretical calculations, Bull. Korean Chem. Soc. 31 (10), 3013-3016 (October 31, 2010) 

        1. Yun Hee Jang: A DFT Study on Molecular Junction Devices with Cyclic Disulfide Anchors: Effect of Anchor Oxidation on Electron Transport, Int. J. Quantum Chem. 110 (12), 2290-2298 (October 1, 2010) 

        1. Yun Hee Jang, William A. Goddard, III: Oxidation of Thiol Anchor Groups in Molecular Junction Devices: A Density Functional Theory Study, J. Phys. Chem. C 114 (10), 4646-4651 (March 18, 2010) 

        1. Yun Hee Jang, William A. Goddard, III: Stoddart-Heath [2]Rotaxane Molecular Switch Made Simple: A Density Functional Theory Study on Model Junction Devices, J. Phys. Chem. C 114 (10), 4611-4616 (March 18, 2010) 

        1. Sungu Hwang, Yun Hee Jang, Hyun Cho, Yongseong Kim: Study of 7-methylguanine on pKa values by using density functional theoretical method, Bull. Korean Chem. Soc. 31 (1), 168-170 (January 31, 2010) 
        • Before 2010
        1. Dong-jun Seong, Jubong Park, Nodo Lee, Musarrat Hasan, Seungjae Jung, Hyejung Choi, Joonmyoung Lee, Minseok Jo, Wootae, Lee, Sangsu Park, Seonghyun Kim, Yun Hee Jang, Y. Lee, M. Sung, D. Kil, Y. Hwang, S. Chung, S. Hong, J. Roh, Hyun-Sang Hwang: Effect of oxygen migration and interface engineering on resistance switching behavior of reactive metal/polycrystalline Pr0.7Ca0.3MnO3 device for nonvolatile memory applications, IEEE International Electron Device Meeting (IEDM) 5.4.1-5.4.4 (December 9, 2009) 

        1. Hyunwook Song, Youngsang Kim, Yun Hee Jang, Heejun Jeong, Mark A. Reed, Takhee Lee: Observation of molecular orbital gating, Nature 462 (7276), 1039-1043 (December 24, 2009) 

        1. Yun Hee Jang, Sungu Hwang, Seo Bong Chang, Jamin Ku, Doo Soo Chung: Acid dissociation constants of melamine derivatives from DFT calculations, J. Phys. Chem. A 113 (46), 13036-13040 (November 19, 2009) 

        1. Yun Hee Jang, Sungu Hwang, Jung Jin Oh, Sang-Woo Joo: Adsorption change of cyclohexyl acetylene on gold nanoparticle surfaces, Vib. Spectrosc. 51 (2), 193-198 (November 10, 2009) [pdf]

        1. Yun Hee Jang: First principles calculations on Pt-Ru catalytic reactions for polymer electrolyte membrane fuel cell applications, Catalysis 25, 50-58 (October 1, 2009) - In Korean 

        1. Yun Hee Jang, Francois Gervais, Yves Lansac: A-site ordering in colossal magnetoresistance manganite La(1-x)Sr(x)MnO(3)? Molecular dynamics simulations and quantum mechanics calculations, J. Chem. Phys. 131 (9), 094503 (September 7, 2009) [pdf

        1. Hyunwook Song, Youngsang Kim, Jamin Ku, Yun Hee Jang, Heejun Jeong, Takhee Lee: Vibrational spectra of metal-molecule-metal junctions in electromigrated nanogap electrodes by inelastic electron tunneling, Appl. Phys. Lett. 94 (10), 103110 (March 9, 2009) [pdf

        1. Sandhyarani Acharya, Hyunwook Song, Jongman Lee, Pil Sook Kwon, Jung-pil Lee, Gottikunda Yogendranath, Young Ha Kim, Yun Hee Jang, Takhee Lee, Shashadhar Samal, Jae-Suk Lee: An amphiphilic C(60) penta-addition derivative as a new U-type molecular rectifier, Org. Electron. 10 (1), 85-94 (February 1, 2009) [pdf

        1. Sang-Woo Joo, Yun Hee Jang, Sungu Hwang: Density functional theoretical study on the pKa values of bipyridines, Chem. Lett. 37 (12), 1212-1213 (December 1, 2008) 

        1. Gunuk Wang, Tae-Wook Kim, Yun Hee Jang, Takhee Lee: Effects of metal-molecule contact and molecular structure on molecular electronic conduction in nonresonant tunneling regime: Alkyl versus conjugated molecules, J. Phys. Chem. C 112 (33), 13004-13009 (August 21, 2008) 

        1. Yun Hee Jang, William A. Goddard, III: Cyclic disulfide molecular junctions with two adsorption states at the contact: a density functional theory study, J. Phys. Chem. C 112 (23), 8715-8720 (June 12, 2008) 

        1. Yun Hee Jang, Francois Gervais, Yves Lansac: A-site distribution in La(1-x)Sr(x)MnO(3): a computational study, Mater. Res. Soc. Symp. Proc. 1074E, I02-10 (2008) - Conference proceeding 

        1. Sungu Hwang, Yun Hee Jang, Hyun Cho, Yong-Jae Lee: Density functional theoretical study on the proton migration in radical cations of substituted cytosine:guanine pair, Bull. Korean Chem. Soc. 29 (3), 539-540 (March 20, 2008) 

        1. Yun Hee Jang, Sungu Hwang, Doo Soo Chung: DFT calculation of site-specific acid dissociation constant, Chem. Lett. 36 (12), 1496-1497 (November 17, 2007) 

        1. Yun Hee Jang, Mario Blanco, Jefferson Creek, Yongchun Tang, William A. Goddard, III: Wax inhibition by comb-like polymers: Support of the incorporation-perturbation mechanism from molecular dynamics simulations, J. Phys. Chem. B 111 (46), 13173-13179 (November 22, 2007) 

        1. Tae Sun Kim, Sang-Mook Kim, Yun Hee Jang, Gun Young Jung: Increase of light extraction from GaN based light emitting diodes incorporating patterned structure by colloidal lithography, Appl. Phys. Lett. 91 (17), 171114 (October 25, 2007) [pdf

        1. William A. Goddard, III, Adri van Duin, Kimberly Chenoweth, Mu-Jeng Cheng, Sanja Pudar, Jonas Oxgaard, Boris Merinov, Yun Hee Jang, Petter Persson: Development of the ReaxFF reactive force field for mechanistic studies of catalytic selective oxidation processes on BiMoO(x), Top. Catal. 38 (1-3), 93-103 (July 1, 2006) [pdf

        1. Yun Hee Jang, William A. Goddard, III: Mechanism of oxidative shuttling for [2]rotaxane in a Stoddart-Heath molecular switch: Density functional theory study with continuum-solvation model, J. Phys. Chem. B 110 (15), 7660-7665 (April 20, 2006) [pdf] [supporting

        1. William A. Goddard, III, Boris Merinov, Adri van Duin, Timo Jacob, Mario Blanco, Valeria Molinero, Seung Soon Jang, Yun Hee Jang: Multi-paradigm multi-scale simulations for fuel cell catalysts and membranes, Mol. Simul. 32 (3-4), 251-268 (March 29, 2006) [pdf

        1. Seung Soon Jang, Yun Hee Jang, Yong-Hoon Kim, William A. Goddard, III, Jang Wook Choi, James R. Heath, Amar H. Flood, Bo W. Laursen, J. Fraser Stoddart: Molecular Dynamics Simulation of Amphiphilic Bistable [2]Rotaxane Langmuir Monolayer at Air/Water Interface, J. Am. Chem. Soc. 127 (42), 14804-14816 (October 26, 2005) 

        1. Calum R. I. Chisholm, Yun Hee Jang, Sossina M. Haile, William A. Goddard, III: Superprotonic phase transition of CsHSO(4): A molecular dynamics simulation study, Phys. Rev. B 72 (13), 134103 (October 15, 2005) 

        1. Yong-Hoon Kim, Seung Soon Jang, Yun Hee Jang, William A. Goddard, III: First-principles study of the switching mechanism of [2]catenane molecular electronic devices, Phys. Rev. Lett. 95 (15), 156801 (April 22, 2005) 

        1. Sungu Hwang, Yun Hee Jang, Doo Soo Chung: Gas phase proton affinity, basicity, and pK(a) values for nitrogen containing heterocyclic aromatic compounds, Bull. Korean Chem. Soc. 26 (4), 585-588 (April 20, 2005) 

        1. Yun Hee Jang, Seung Soon Jang, William A. Goddard, III: Molecular Dynamics Simulation Study on a Monolayer of Half [2]Rotaxane Self-Assembled on Au(111), J. Am. Chem. Soc. 127 (13), 4959-4964 (April 6, 2005) 

        1. Seung Soon Jang, Yun Hee Jang, Yong-Hoon Kim, William A. Goddard, III, Amar H. Flood, Bo W. Laursen, Hsian-Rong. Tseng, J. Fraser Stoddart, Jan O. Jeppesen, Jang Wook Choi, David W. Steuerman, Erica DeIonno, James R. Heath: Structures and Properties of Self-Assembled Monolayers of Bistable [2]Rotaxanes on Au (111) Surfaces from Molecular Dynamics Simulations Validated with Experiment, J. Am. Chem. Soc. 127 (5), 1563-1575 (February 9, 2005) 

        1. Seung Uk Son, Kang Hyun Park, Young San Lee, Bo Yun Kim, Cheol Ho Choi, Myoung Soo Lah, Yun Hee Jang, Du-Jeon Jang, and Young Keun Chung: Synthesis of Ru(II) complexes of N-heterocyclic carbenes and their promising photoluminescence properties in water, Inorg. Chem. 43 (22), 6896-6898 (November 1, 2004) 

        1. Yun Hee Jang, Sungu Hwang, Yong-Hoon Kim, Seung Soon Jang, William A. Goddard, III: Density Functional Theory Studies of the [2]Rotaxane Components of the Stoddart-Heath Molecular Switch, J. Am. Chem. Soc. 126 (39), 12636-12645 (October 6, 2004) 

        1. Katherine N. Rogstad, Yun Hee Jang, Lawrence C. Sowers, William A. Goddard, III: First Principles Calculations of the pKa Values and Tautomers of Isoguanine and Xanthine, Chem. Res. Toxicol. 16 (11), 1455-1462 (2003) [pdf] [supporting

        1. Insook Park, Yun Hee Jang, Sungu Hwang, Doo Soo Chung: Poisson-Boltzmann Continuum Solvation Models for Nonaqueous Solvents 1. 1-Octanol, Chem. Lett. 32 (4), 376-377 (April, 2003) 

        1. Yun Hee Jang, William A. Goddard III, Katherine T. Noyes, Lawrence C. Sowers, Sungu Hwang, Doo Soo Chung: pK(a) Values of Guanine in Water: Density Functional Theory Calculations Combined with Poisson-Boltzmann Continuum-Solvation Model, J. Phys. Chem. B 107 (1), 344-357 (January 9, 2003) [pdf

        1. Yun Hee Jang, X. Y. Chang, M. Blanco, Sungu Hwang, Y. Tang, P. Shuler and William A. Goddard, III: The MSXX Force Field for Barium Sulfate-Water Interface, J. Phys. Chem. B 106 (38), 9951-9966 (September 26, 2002) [pdf

        1. Yun Hee Jang, William A. Goddard III, Katherine T. Noyes, Lawrence C. Sowers, Sungu Hwang, Doo Soo Chung: First Principles Calculations of the Tautomers and pK(a) Values of 8-Oxoguanine: Implications for Mutagenicity and Repair, Chem. Res. Toxicol. 15 (8), 1023-1035 (August, 2002) [pdf

        1. Yun Hee Jang, William A. Goddard, III: Mechanism of Selective Oxidation and Ammoxidation of Propene on Bismuth Molybdates from DFT Calculations on Model Clusters, J. Phys. Chem. B 106 (23) 5997-6013 (June 13, 2002) [pdf

        1. Yun Hee Jang, Sungu Hwang, Doo Soo Chung: Tautomeric Equilibrium of Fluorescein in Solution: Ab Initio Calculations, Chem. Lett. 1316 (2001) 

        1. Sungu Hwang, Yun Hee Jang, Doo Soo Chung: Ab Initio Studies on the Relative Stability of Neutral and Ionic Forms of Acetic Acid/Methylamine Complex and beta-Alanine in Various Solvents, Chem. Lett., 1182 (2001) 

        1. David A. Keire, Yun Hee Jang, Lin Li, Siddarth Dasgupta, William A. Goddard III, John E. Shively: Chelators for Radioimmunotherapy: I. NMR and ab initio calculation studies on 1,4,7,10-tetra(carboxyethyl)-1,4,7,10-tetraazacyclododecane (DO4Pr) and 1,4,7-tris(carboxymethyl)-10-(carboxyethyl)-1,4,7,10-tetraazacyclododecane (DO3A1Pr), Inorg. Chem. 40 (17) 4310-4318 (August 13, 2001) [pdf

        1. Yun Hee Jang, William A. Goddard III: Selective Oxidation and Ammoxidation of Propene on Bismuth Molybdates, Ab Initio Calculations, Top. Catal. 15 (2/4) 273-289 (June 2001) [pdf

        1. One-Sun Lee, Yun Hee Jang, Young Gi Cho, Myung Ho Hyun, Hie-Joon Kim, and Doo Soo Chung: Theoretical and Experimental Studies of Chiral Recognition in Charged Pirkle-Phases, Chem. Lett. 232 (2001) 

        1. Yun Hee Jang, Lawrence C. Sowers, Tahir Cagin, and William A. Goddard III: First Principles Calculation of pK(a) Values for 5-Substituted Uracils, J. Phys. Chem. A 105 (1) 274-280 (January 11, 2001) [pdf

        1. Christopher J. La Francois, Yun Hee Jang, Tahir Cagin, William A. Goddard III, Lawrence C. Sowers: Conformation and Proton Configuration of Pyrimidine Deoxynucleoside Oxidation Damage Products in Water, Chem. Res. Toxicol. 13 (6), 462-470 (June, 2000) [pdf] [supporting

        1. Sungu Hwang, Kwan Hee Lee, Gean Ha Ryu, Yun Hee Jang, Sang Bok Lee, Woo Young Lee, Jong-In Hong, Doo Soo Chung: Relative Binding Affinities of Alkali Metal Cations to [1_8]Starand in Methanol: Experimental and Computational Studies, J. Org. Chem. 65 (2), 536-542 (January 28, 2000) 

        1. Sungu Hwang, Gean Ha Ryu, Yun Hee Jang, Doo Soo Chung: On the Isomerizm between [1_7]Ketonand and [1_8]Starand, Bull. Korean Chem. Soc. 20 (20), 1238-1240 (October 1, 1999) 

        1. Sungu Hwang, Yun Hee Jang, Gean Ha Ryu, Doo Soo Chung: Alkali Metal Cation Selectivity to [1_7]Ketonand in Methanol: A Free Energy Perturbation and Molecular Dynamics Simulation Study, Bull. Korean Chem. Soc. 20 (10), 1129-1135 (October 1, 1999) 

        1. Yun Hee Jang, Mario Blanco, Siddharth Dasgupta, David A. Kiere, John E. Shively, William A. Goddard III: Mechanism and Energetics for Complexation of (90)Y with 1,4,7,10-Tetraazacyclododecane-1.4.7.10-tetraacetic Acid (DOTA), a Model for Cancer Radioimmunotherapy, J. Am. Chem. Soc. 121 (26), 6142-6151 (July 7, 1999) [pdf

        1. Yun Hee Jang, Sungu Hwang, Hojing Kim: C-H bond Activation of Formate on Clean and K-Covered Ru(001): a Theoretical Study, Surf. Sci. 340, 245-257 (October 20, 1995) 

        1. Yun Hee Jang, Hojing Kim: A Green's-Matrix Approach to Chemisorption, Bull. Korean Chem. Soc. 14 (2), 238-243 (April 20, 1993) 

        1. Yun Hee Jang, Hojing Kim: Quantum-Chemical Study of Proton Pump Inhibiting Activity of Substituted 2-Sulfinyl benzimidazoles, Korean J. Med. Chem. 2 (2), 107-112 (February 1, 1992) 

        1. Sungu Hwang, Yun Hee Jang, Hojing Kim: The Electronic Structure of Methanethiol Adsorbed on Silver Surface: An Extended Huekel Study, Bull. Korean Chem. Soc. 12 (6), 635-643 (December 20, 1991) 
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