DGIST Scholar: 1. Journal Articles

DGIST ScholarDepartment of Energy Science and Engineering CMMM Lab(Curious Minds Molecular Modeling Laboratory)

1. Journal Articles 26

Issue Date	Title First-Author(s) Citation	Views
2021	Effect of Bulky Atom Substitution on Backbone Coplanarity and Electrical Properties of Cyclopentadithiophene-Based Semiconducting Polymers Park, Sohee; Kim, Yejin; Choi, Changwon; Ahn, Hyungju; Park, Taemin; Lee, Seoung Ho; Jang, Yun Hee; Lee, Byoung Hoon Macromolecular Rapid Communications	37
2021	DNA-assisted assembly of cationic gold nanoparticles: Monte Carlo simulation de Izarra, Ambroise; Jang, Yun Hee; Lansac, Yves Soft Matter, 41(41), 9315-9325	70
2021	Molecular Dynamics of PEDOT:PSS Treated with Ionic Liquids. Origin of Anion Dependence Leading to Cation Design Principles de Izarra, Ambroise; Choi, Changwon; Jang, Yun Hee; Lansac, Yves Journal of Physical Chemistry B, 125(30), 8601-8611	86
2021	Protamine-Controlled Reversible DNA Packaging: A Molecular Glue Mukherjee, Arnab; Izarra, Ambroise de; Degrouard, Jeril; Olive, Enrick; Maiti, Prabal K.; Jang, Yun Hee; Lansac, Yves ACS Nano, 15(8), 13094-13104	88
2021	Protamine Binding Site on DNA: Molecular Dynamics Simulations and Free Energy Calculations with Full Atomistic Details Mukherjee, Arnab; Saurabh, Saurabh; Olive, Enrick; Jang, Yun Hee; Lansac, Yves Journal of Physical Chemistry B, 125(12), 3032-3044	83
2021	Ionic Liquid for PEDOT:PSS Treatment. Ion Binding Free Energy in Water Revealing the Importance of Anion Hydrophobicity Izarra, Ambroise de; Choi, Changwon; Jang, Yun Hee; Lansac, Yves Journal of Physical Chemistry B, 125(7), 1916-1923	105
2021	Mass spectrometry imaging of untreated wet cell membranes in solution using single-layer graphene Lim, Heejin; Lee, Sun Young; Park, Yeruem; Jin, Hyeonggyu; Seo, Daeha; Jang, Yun Hee; Moon, DaeWon Nature Methods, 18(3), 316-320	257
2021	The identification of specific N-configuration responsible for Li-ion storage in N-doped porous carbon nanofibers: An ex-situ study Samdani, Jitendra; Tran, Thanh Nhan; Kang, Tong-Hyun; Lee, Byong-June; Jang, Yun Hee; Yu, Jong-Sung; Shanmugam, Sangaraju Journal of Power Sources, 483, 229174	395
2020	Heterostructured Titanium Oxynitride-Manganese Cobalt Oxide Nanorods as High-Performance Electrode Materials for Supercapacitor Devices Samdani, Jitendra Shashikant; Kang, Tong-Hyun; Lee, Byong-June; Jang, Yun Hee; Yu, Jong-Sung; Shanmugam, Sangaraju ACS Applied Materials and Interfaces, 12(49), 54524-54536	235
2020	Liquid crystal ordering of nucleic acids Naskar, Supriyo; Saurabh, Suman; Jang, Yun Hee; Lansac, Yves; Maiti, Prabal K. Soft Matter, 16(3), 634-641	412
2020	Orientation Dependence of Inter-NCP Interaction: Insights into the Behavior of Liquid Crystal Phase and Chromatin Fiber Organization Saurabh, Suman; Jang, Yun Hee; Lansac, Yves; Maiti, Prabal K. Journal of Physical Chemistry B, 124(2), 314-323	398
2019	Living Initiator-Transfer Anionic Polymerization of Isocyanates by Sodium Diphenylamide Chae, Chang-Geun; Bak, In-Gyu; Lansac, Yves; Samal, Shashadhar; Jang, Yun Hee; Lee, Jae-Suk Macromolecules, 52(23), 9354-9363	410
2019	Molecular Engineering of a Donor-Acceptor Polymer To Realize Single Band Absorption toward a Red-Selective Thin-Film Organic Photodiode Hassan, Syed Zahid; Cheon, Hyung Jin; Choi, Changwon; Yoon, Seongwon; Kang, Mingyun; Cho, Jangwhan; Jang, Yun Hee; Kwon, Soon-Ki; Chung, Dae Sung; Kim, Yun-Hi ACS Applied Materials and Interfaces, 11(31), 28106-28114	630
2019	Room temperature CO2 fixation via cyclic carbonate synthesis over vanadium-MOF catalysts Kuruppathparambil, Roshith Roshan; Babu, Robin; Jeong, Hochan; Jang, Yun Hee; Lee, Mi Hye; Park, Dae-Won Korean Journal of Chemical Engineering, 36(5), 643-649	528
2018	Correlational Effects of the Molecular-Tilt Configuration and the Intermolecular van der Waals Interaction on the Charge Transport in the Molecular Junction Shin, Jae Ho; Gu, Kyung Yeol; Yang, Seung Hoon; Lee, Chul-Ho; Lee, Tak Hee; Jang, Yun Hee; Wang, Gun Uk Nano Letters, 18(7), 4322-4330	671
2018	Cu-I-Catalysed Enantioselective Alkyl 1,4-Additions to (E)-Nitroalkenes and Cyclic Enones with Phosphino-Oxazoline Ligands Shin, Minkyeong; Gu, Minji; Lim, Sung Soo; Kim, Min-Jae; Lee, JuHyung; Jin, HyeongGyu; Jang, Yun Hee; Jung, Byung Hyuck European Journal of Organic Chemistry(24), 3122-3130	821
2018	Sub-nanometer pore formation in single-molecule-thick polyurea molecular-sieving membrane: a computational study Park, Seongjin; Lansac, Yves; Jang, Yun Hee Physical Chemistry Chemical Physics, 20(24), 16463-16468	643
2018	Ionic Liquid Designed for PEDOT:PSS Conductivity Enhancement Izarra, Ambroise de; Park, Seong Jin; Lee, Jin Hee; Lansac, Yves; Jang, Yun Hee Journal of the American Chemical Society, 140(16), 5375-5384	730
2017	Shuttlecock-Shaped Molecular Rectifier: Asymmetric Electron Transport Coupled with Controlled Molecular Motion Ryu, Taek Hee; Lansac, Yves; Jang, Yun Hee Nano Letters, 17(7), 4061-4066	735
2016	Lithium ion solvation by ethylene carbonates in lithium-ion battery electrolytes, revisited by density functional theory with the hybrid solvation model and free energy correction in solution Cui, Wei; Lansac, Yves; Lee, Hochun; Hong, Seung-Tae; Jang, Yun Hee Physical Chemistry Chemical Physics, 18(34), 23607-23612	1174

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