2025
Sustained LiNO3 Release from a Multifunctional MOF-Coated Separator Enables Stable High-Voltage Lithium Metal Batteries, submitted.
Impact of energy level alignment on efficiency and stability in perovskite solar cells via phenothiazine-based self-assembled monolayers, submitted.
Pushing the Boundaries of Supercapacitor Stability: A Sulfone-Based Electrolyte for Harsh Operating Conditions, submitted.
Unlocking High-Performance Lithium Metal Batteries through a Unique Solvation Structure Engineered by an Ether Solvent, submitted.
High-Voltage Wide-Temperature Supercapacitors Enabled by Optimized Electrolyte Mixtures, submitted.
Tuning Physical and Electrochemical Properties of Lithium Metal Batteries: Effect of Lithium Difluorophosphate at Different Concentrations in 1,2-Dimethoxyethane, Thuy Duong Pham, Abdullah Bin Faheem, Kyungwon Kwak,* and Kyung-Koo Lee*, Batteries & Supercaps, 2025, 00, e202500163.
A Moderately Solvating Electrolytes for Lithium−ion Batteries: Co−intercalation−free and Wide−Temperature, Junam Kim, Thuy Duong Pham, Seung-Hyeok Ma, Bouk Heo, Kyungwon Kwak*, and Kyung-Koo Lee*, Electrochimica Acta, 2025, 534, 146573.
Exceeding 2.2 V Open-Circuit Voltage in Perovskite/Organic Tandem Solar Cells via Multi-Functional Hole-Selective Layer, Jung Geon Son, Shahid Ameen, Jina Roe, Sujung Park, Jongdeuk Seo, Jaehyeong Kim, Abdullah Bin Faheem, Ha-eun Koo, Si On Oh, Yeowon Jo, Jae Won Kim, YeonJeong Lee, Yun Seop Shin, Hyungsu Jang, Dongmin Lee, SungHyun Hur, Kyung-Koo Lee, Shinuk Cho, Dong Suk Kim*, Jin Young Kim*, and BongSoo Kim, Advanced Energy Materials, 2025, 2404092.
Molecular Design of High-Voltage Electrolytes via Steric Hindrance Effects, Hoai Van T. Nguyen, Abdullah Bin Faheem, Kyung-Koo Lee*, Journal of Power Sources, 2025, 638, 236455.
Enhanced charge transport through ion networks in highly concentrated LiSCN-polyethylene carbonate solid polymer electrolytes, Kajal Kumbhakar, Sourav Palchowdhury, Thuy Duong Pham, Seoeun Shin, So Yeon Chun, Joong Won Shim, Kyung-Koo Lee,* Minhaeng Cho,* and Kyungwon Kwak*, Small Science, 2025, 2400653.
2024
3,6-Bis(methylthio)-9H-carbazole Based Self-Assembled Monolayer for Highly Efficient and Stable Inverted Perovskite Solar Cells, Shahid Ameen, Dongmin Lee, Abdullah Bin Faheem, Jung Geon Son, Youngwan Lee,Hyunjoon Yoo, Sujung Park, Yun Seop Shin, Jaehwi Lee, Jongdeuk Seo, Hyungsu Jang,Jina Roe, Ji Won Song, Shinuk Cho, Yongsup Park, Kyung-Koo Lee,* Jin Young Kim,* Dong Suk Kim,* and BongSoo Kim*, Angewandte Chemie International Edition, 2025, 64, e202423206.
Implementation of Phosphonium Salt for High-Performance Supercapacitors from Room to Ultra-Low Temperature Conditions, Hoai Van T. Nguyen, Hee Jin Han, Euna Choi, Yong Ho Lee*, Kyung-Koo Lee*, Journal of Energy Storage, 2025, 106, 114750.
Solvation Structures in Weakly Solvating Solvents Lead to Hybrid Vehicular/Structural Ion Transport, Abdullah Bin Faheem, Thuy Duong Pham, Kyung-Koo Lee*, Journal of Molecular Liquids, 2024, 415, 126344.
Maleic anhydride derivatives as catalysts for N-oxidation of pyridine using hydrogen peroxide, Ghellyn Gajeles, Kyung-Koo Lee, Sang Hee Lee, RSC Advances, 2024, 14, 31657–31662.
Tailor-made anodically coloring organic-inorganic hybrid electrochromic materials derived from phenothiazine cores, Sunghyeok Park, Hyojin Cho, Abdullah Bin Faheem, Seunghan Song, Hung Van Tran, Jacinta Akoth Okwako, Kyung-Koo Lee, Chi-Hwan Han, Young S. Park, Sungjun Hong, Electrochimica Acta, 2024, 507, 145156.
A Highly Photostable UVA Filter Derived from Avobenzone, Sang Hee Lee*, Kyung-Koo Lee*, Journal of Photochemistry & Photobiology, A: Chemistry, 2025, 458, 115972.
Tetraethylphosphonium tetrafluoroborate Electrolyte for Paving the Way to Construct High-Power and High-Voltage Supercapacitors, Hoai Van T. Nguyen, Kyung-Koo Lee*, Journal of Energy Storage, 2024, 96, 112640.
Synergistic Effects of Bisalt Additives in High-Voltage Rechargeable Lithium Batteries, Thuy Duong Pham, Junam Kim, Hye Min Oh, Kyungwon Kwak*, Kyung-Koo Lee*, ChemSusChem, 2024, e202400636.
High-efficiency Lithium Metal Stabilization and Polysulfide Suppression in Li-S Battery Enabled by Weakly Solvating Solvent, Thuy Duong Pham, Abdullah Bin Faheem, Junam Kim, Seung-Hyeok Ma, Kyungwon Kwak*, Kyung-Koo Lee*, Small, 2024, 2307951.
2023
Development of a Neural Network Potential for Modeling Molten LiCl/KCl Salts: Bridging Efficiency and Accuracy, The Journal of Physical Chemistry C, Abdullah Bin Faheem and Kyung-Koo Lee* 2024, 128, 5, 2163–2178.
Tailoring Solvent Mixtures to Boost Electrochemical Stability and Low-Temperature Performances of Supercapacitors, Hoai Van T. Nguyen, Kyung-Koo Lee*, Journal of Power Sources, 2024, 592, 233929.
Effective enhancement of energy density of zinc-polyiodide flow batteries by organic/penta-iodide complexation, Jae-ik Lee, Abdullah Faheem, Won Joon Jang, Kyung Mi Kim, Jin Seong Cha, Noh-Uk Seo, Hansung Kim, Kyung-Koo Lee*, Jung Hoon Yang*, ACS Applied Materials & Interfaces, 2023, 15, 41, 48122–48134.
Systematic Approach to Constructing Safe and High-Performance Supercapacitors with Nonflammable Electrolytes, Hoai Van T. Nguyen, Kyung-Koo Lee*, ChemSusChem, 2023, e202300756.
Unlocking the Potential of Lithium Metal Batteries with a Sulfite-based Electrolyte, Thuy Duong Pham, Abdullah Bin Faheem, Junam Kim, Kyungwon Kwak*, and Kyung-Koo Lee*, Advanced Functional Materials, 2023, 2305284.
Dielectric Relaxation Spectroscopy for the Characterization of Ion Transport in Solid Polymer Electrolytes in Li-ion Cells, Kajal Kumbhakar, Thuy Duong Pham, Kyung-Koo Lee, Kyungwon Kwak*, Minhaeng Cho*, Electrochimica Acta, 2023, 462, 142759.
Non-flammable Electrolytes based on a Fluorine-free Salt for Safe and High-voltage Lithium Metal Batteries, Thuy Duong Pham, Abdullah Bin Faheem, Junam Kim, Kyungwon Kwak*, and Kyung-Koo Lee*, Electrochimica Acta, 2023, 458, 142496.
Size Effect of Electrolyte Ions on the Electric Double Layer Structure and Supercapacitive Behavior, Hoai Van Thi Nguyen, Abdullah Bin Faheem, Junam Kim, Juyeoung Lee, Qing Jin, Bonyong Koo, Woong Kim, and Kyung-Koo Lee*, ACS Applied Energy Materials, 2023, 6, 3155.
2022
Advances on the high voltage supercapacitors for energy storage systems: Materials and electrolyte tailoring to implementations, Jae Muk Lim, Young Seok Jang, Hoai Van T. Nguyen, Jun Sub Kim, Yeoheung Yoon, ByungJun Park, Dong Han Seo*, Kyung-Koo Lee*, Zhaojun Han*, Kostya (Ken) Ostrikov*, Seok GwangDoo*, Nanoscale Advances, 2023, 5, 615-626.
Marrying a non-flammable phosphate solvent with Lithium Nitrate: Novel electrolyte for intrinsically safe and high performance lithium metal batteries, Hieu Dinh Nguyen, Thuy Duong Pham, Abdullah Bin Faheem, Hye Min Oh,* and Kyung-Koo Lee*, Batteries & Supercaps, 2022, e202200453.
Atomwise force fields for molten alkali chlorides (LiCl and KCl) and their mixtures: efficient parameterization via genetic algorithms, Abdullah Bin Faheem, Kyung-Koo Lee*, Journal of Nuclear Materials, 2023, 573, 154107
Versatile Hole Selective Molecules Containing a Series of Heteroatoms for Efficient p-i-n Perovskite and Organic Solar Cells, Asmat Ullah, Keun Hyeong Park, YoungWan Lee, Sujung Park, Abdullah Bin Faheem, Hieu Dinh Nguyen, Yasir Siddique, Kyung-Koo Lee, Yimhyun Jo, Chi-Hwan Han, SeJin Ahn, Inyoung Jeong, Shinuk Cho,* BongSoo Kim,* Young S. Park,* and Sungjun Hong*, Advanced Functional Materials, 2022, 2208793.
Lithium-Ion Solvation Structure in Organic Carbonate Electrolytes at Low Temperatures, Yeongseok Chae, Chaiho Lim, Jonggu Jeon, Minju Kim, Kyung-Koo Lee*, Kyungwon Kwak*, and Minhaeng Cho*, Journal of Physical Chemistry Letters, 2022, 13, 7881–7888
Enhanced performances of lithium metal batteries by synergistic effect of low concentration bisalt electrolyte, Thuy Duong Pham, Abdullah Bin Faheem, Hieu Dinh Nguyen, Hye Min Oh, and Kyung-Koo Lee*, Journal of Materials Chemistry A, 2022, 10, 12035 - 12046.
Practical High-Voltage Lithium Metal Batteries Enabled by Tuning the Solvation Structure in Weakly Solvating Electrolyte, Thuy Duong Pham, Abdullah Bin Faheem, Junam Kim, Hye Min Oh,* and Kyung-Koo Lee*, Small, 2022, 2107492.
2021
Novel Phenothiazine-Based Self-Assembled Monolayer as a Hole Selective Contact for Highly Efficient and Stable p-i-n Perovskite Solar Cells, Asmat Ullah, Keun Hyeong Park, Hieu Dinh Nguyen, Yasir Siddique, S. F. A. Shah, Huyen Tran, Sunghyeok Park, Seok In Lee, Kyung-Koo Lee, Chi-Hwan Han, Kihwan Kim, SeJin Ahn, Inyoung Jeong, Young S. Park, and Sungjun Hong, Advanced Energy Materials, 2021, 13, 2103175.
Design of a LiF-Rich Solid Electrolyte Interphase Layer through Highly Concentrated LiFSI–THF Electrolyte for Stable Lithium Metal Batteries, Thuy Duong Pham, Abdullah Bin Faheem, and Kyung-Koo Lee*, Small, 2021, 2103375.
Solvation Structure around Li+ Ions in Organic Carbonate Electrolytes: Spacer-Free Thin Cell IR Spectroscopy, Chaiho Lim, Joo Hyun Kim, Yeongseok Chae, Kyung-Koo Lee,* Kyungwon Kwak,* and Minhaeng Cho*, Analytical Chemistry, 2021, 93, 37, 12594.
Quantum mechanical/molecular mechanical approach for the simulation of UV–Vis absorption spectra of p-conjugated oligomers, Md Al Mamunur Rashid, Kyusang Ahn, Jonggu Jeon, Minhaeng Cho, BongSoo Kim*, Kyung-Koo Lee*, Kyungwon Kwak*, Journal of Molecular Liquids, 2021, 341, 117406.
High-voltage and intrinsically safe supercapacitors based on a trimethyl phosphate electrolyte, Hoai Van T. Nguyen, Junam Kim and Kyung-Koo Lee*, Journal of Materials Chemistry A, 2021, 9, 20725.
Novel flexible photochromic device with unprecedented fast-bleaching kinetic via platinum decoration on WO3 layer, Thuy Thi Dao, Sunghyoek Park, Saad Sarwar, Hung Van Tran, Seok In Lee, Hee Sung Park, Seung Han Song, Hieu Dinh Nguyen, Kyung-Koo Lee, Chi-Hwan Han*, Sungjun Hong*, Solar Energy Materials & Solar Cells, 2021, 231, 111316.
Efficient parameterization of intermolecular force fields for molecular dynamics simulations via genetic algorithms, Abdullah Bin Faheem, Jong-Yun Kim, Sang-Eun Bae, Kyung-Koo Lee*, Journal of Molecular Liquids, 2021, 337, 116579.
Simultaneous Stabilization of the Solid/Cathode Electrolyte Interface in Lithium Metal Batteries by a New Weakly Solvating Electrolyte, Thuy Duong Pham and Kyung-Koo Lee*, Small, 2021, 2100133.
Synergistic Effects on Lithium Metal Batteries by Preferential Ionic Interactions in Concentrated Bisalt Electrolytes, Thuy Duong Pham, Abdullah Bin Faheem, So Yeon Chun, Jung-Rae Rho, Kyungwon Kwak*, and Kyung-Koo Lee*, Advanced Energy Materials, 2021, 11, 2003520. Front cover picture.
Operando Raman and UV-Vis spectroscopic investigation of the coloring and bleaching mechanism of self-powered photochromic devices for smart windows, So Yeon Chun, Sunghyeok Park, Seok In Lee, Hieu Dinh Nguyen, Kyung-Koo Lee, Sungjun Hong*, Chi-Hwan Han, Minhaeng Cho, Han-Kyu Choi*, and Kyungwon Kwak*, Nano Energy, 2021, 82, 105721.
Rational design of the electrolyte systems for the photochromic device, Hieu Dinh Nguyen, Junam Kim, and Kyung-Koo Lee*, Electrochimica Acta, 2021, 374, 137964.
Activated carbons effectively purified by post‑heat treatment under vacuum conditions, Junam Kim, Hoai Van T. Nguyen, Gyung Jin Bahk, Kyungwon Kwak*, and Kyung‑Koo Lee*, Carbon Letters, 2021.
2020
Recyclable anhydride catalyst for H2O2 oxidation: N-oxidation of pyridine derivatives, Ghellyn Gajeles, Se Mi Kim, Jong-Cheol Yoo, Kyung-Koo Lee and Sang Hee Lee*, RSC Advances, 2020, 10, 9165.
Propionitrile as a single organic solvent for high voltage electric double-layer capacitors, Hoai Van T. Nguyen, Abdullah Bin Faheem, Kyungwon Kwak*, and Kyung-Koo Lee*, Journal of Power Sources, 2020, 463, 228134.
Influence of 3D morphology on the performance of all-polymer solar cells processed using environmentally benign nonhalogenated solvents, Hyeseung Jung, A-Ra Jung, Seon-Mi Jin, Seah Kim, Hyojung Heo, Hoai Van T. Nguyen, Min Je Kim, Pyeongkang Ahn, Myung Hwa Kim, Youngu Lee, Kyung-Koo Lee, Jeong Ho Cho, Eunji Lee*, and BongSoo Kim*, Nano Energy, 2020, 77, 105106.
2019
Two-Dimensional Infrared Spectroscopy and Molecular Dynamics Simulation Studies of Nonaqueous Lithium Ion Battery Electrolytes, Joonhyung Lim, Kyung-Koo Lee, Chungwen Liang, Kwang-Hee Park, Minjoo Kim, Kyungwon Kwak, and Minhaeng Cho*, The Journal of Physical Chemistry B, 2019, 123, 6651.
Regio-regular alternating diketopyrrolopyrrole-based D1–A–D2–A terpolymers for the enhanced performance of polymer solar cells, Myeongjae Lee, Taehyo Kim, Hoai Van T. Nguyen, Hye Won Cho, Kyung-Koo Lee, Jong-Ho Choi, BongSoo Kim* and Jin Young Kim*, RSC Advances, 2019, 9, 42096.
Bis(oxalate)borate-containing electrolytes for high voltage electric double-layer capacitors: A comparative study, Hoai Van T. Nguyen, Sanghee Lee, Kyungwon Kwak*, and Kyung-Koo Lee*, Electrochimica Acta, 2019, 321, 134649.
1,1-Dimethylpyrrolidinium tetrafluoroborate as novel salt for high- voltage electric double-layer capacitors, Hoai Van T. Nguyen, Kyungwon Kwak*, and Kyung-Koo Lee*, Electrochimica Acta, 2019, 299, 98.
2018
Difluorobenzothiadiazole and Selenophene-Based Conjugated Polymer Demonstrating an Effective Hole Mobility Exceeding 5 cm2 V−1 s−1 with Solid-State Electrolyte Dielectric, Benjamin Nketia-Yawson, A-Ra Jung, Hieu Dinh Nguyen, Kyung-Koo Lee, BongSoo Kim*, and Yong-Young Noh*, ACS Applied Materials & Interfaces, 2018, 10, 32492.
Hindered C-N bond rotation in triazinyl dithiocarbamates, Taesub Jung, Hee-Jin Do, Jongwoo Son, Jae Hee Song, Wansik Cha, Yeong-Joon Kim, Kyung-Koo Lee*, and Kyungwon Kwak*, Journal of Molecular Structure, 2018, 1152, 215.
2017
Structure−Property Relationships of Semiconducting Polymers for Flexible and Durable Polymer Field-Effect Transistors, Min Je Kim, A-Ra Jung, Myeongjae Lee, Dongjin Kim, Suhee Ro, Seon-Mi Jin, Hieu Dinh Nguyen, Jeehye Yang, Kyung-Koo Lee, Eunji Lee, Moon Sung Kang, Hyunjung Kim, Jong-Ho Choi, BongSoo Kim*, and Jeong Ho Cho*, ACS Applied Materials & Interfaces, 2017, 9, 40503.
Ultrafast fluxional exchange dynamics in electrolyte solvation sheath of lithium ion battery, Kyung-Koo Lee, Kwanghee Park, Hochan Lee, Yohan Noh, Dorota Kossowska, Kyungwon Kwak* and Minhaeng Cho*, Nature Communications, 2017, 8, 14658.
Highly Sensitive Flexible NH3 Sensors Based on Printed Organic Transistors with Fluorinated Conjugated Polymers, Benjamin Nketia-Yawson, A-Ra Jung, Yohan Noh, Gi-Seong Ryu, Grace Dansoa Tabi, Kyung-Koo Lee, BongSoo Kim*, and Yong-Young Noh*, ACS Applied Materials & Interfaces, 2017, 9, 7322−7330.
A Nonchlorinated Solvent-Processable Fluorinated Planar Conjugated Polymer for Flexible Field-Effect Transistors, Myeongjae Lee, Min Je Kim, Suhee Ro, Shinyoung Choi, Seon-Mi Jin, Hieu Dinh Nguyen, Jeehye Yang, Kyung-Koo Lee, Dong Un Lim, Eunji Lee, Moon Sung Kang, Jong-Ho Choi, Jeong Ho Cho*, and BongSoo Kim*, ACS Applied Materials & Interfaces, 2017, 9, 28817−28827.
2016
Synthesis, characterization, and electrochemical performance of V-doped Li2MnSiO4/C composites for Li-ion battery, Chahwan Hwang, Taejin Kim, Yohan Noh, Wansik Cha, Joongpyo Shim, Kyungwon Kwak, Kang Min Ok, Kyung-Koo Lee*, Materials Letters, 2016, 164, 270–273.
2015
Fast ultrasound-assisted synthesis of Li2MnSiO4 nanoparticles for a lithium-ion battery, Chahwan Hwang, Taejin Kim, Joongpyo Shim, Kyungwon Kwak, Kang Min Ok and Kyung-Koo Lee*, Journal of Power Sources, 2015, 294, 522-529.
Density Functional Investigation of Graphene Doped with Amine-Based Organic Molecules, Yeun Hee Hwang, Hyang Sook Chun, Kang Min Ok, Kyung-Koo Lee*, and Kyungwon Kwak*, Journal of Nanomaterials, 2015, Article ID 917637.
Density Functional Theory Study of Silolodithiophene Thiophenepyrrolopyrroledione Based Small Molecules: The Effect of Alkyl Side Chain Length in Electron Donor Materials, Dongkyun Seo, Youngwoon Yoon, Hak Min Yeo, Kyung-Koo Lee, BongSoo Kim and Kyungwon Kwak*, Bulletin of the Korean Chemical Society, 2015, 36, 513-519.
Physical and electrochemical characteristics of carbon content in carbon-coated Li2MnSiO4 for rechargeable lithium batteries, Sora Won, Kyung-Koo Lee, Gyungse Park, Ho-Jung Sun, Jung-Chul An and Joongpyo Shim*, Journal of Applied Electrochemistry, 2015, 45, 169-176.
Prior to 2015
Quantitative investigations of quantum coherence for a light-harvesting protein at conditions simulating photosynthesis, Daniel B. Turner, Rayomond Dinshaw, Kyung-Koo Lee, Michael S. Belsley, Krystyna E. Wilk, Paul M. G. Curmi and Gregory D. Scholes, Phys. Chem. Chem. Phys. 2012,14, 4857-4874.
Infrared Probing of 4-Azidoproline Conformations Modulated by Azido Configurations, Kyung-Koo Lee, Kwang-Hee Park, Cheonik Joo, Hyeok-Jun Kwon, Jonggu Jeon, Hyeon-Il Jung, Sungnam Park, Hogyu Han, and Minhaeng Cho J. Phys. Chem. B 2012, 116, 5097-5110.
A comprehensive library of blocked dipeptides reveals intrinsic backbone conformational propensities of unfolded proteins, Kwang-Im Oh, Kyung-Koo Lee, Eun-Kyung Park, Youngae Jung, Geum-Sook Hwang, and Minhaeng Cho, PROTEINS, 2012, 80, 977-990.
Ultrafast internal rotational dynamics of the azido group in (4S)-azidoproline: Chemical exchange 2DIR spectroscopic investigations, Kyung-Koo Lee, Kwang-Hee Park, Cheonik Joo, Hyeok-Jun Kwon, Hogyu Han, Jeong-Hyon Ha, Sungnam Park, and Minhaeng Cho, Chem. Phys. 2012, 396, 22-39.
Ion-pairing dynamics of Li+ and SCN− in dimethylformamide solution: Chemical exchange two-dimensional infrared spectroscopy, Kyung-Koo Lee, Kwang-Hee Park, Donghyun Kwon, Jun-Ho Choi, Hyewon Son, Sungnam Park, and Minhaeng Cho, J. Chem. Phys. 2011, 134, 064506.
Polarization-Angle-Scanning 2DIR Spectroscopy of Coupled Anharmonic Oscillators: A Polarization Null Angle Method, Kyung-Koo Lee, Kwang-Hee Park, Sungnam Park, Seung-Joon Jeon and Minhaeng Cho, J. Phys. Chem. B 2011, 115, 5456-5464.
Circular dichroism eigenspectra of polyproline II and β-strand conformers of trialanine in water: Singular value decomposition analysis, Kwang-Im Oh, Kyung-Koo Lee, Eun-Kyung Park, Donggeun Yoo, Geum-Sook Hwang and Minhaeng Cho, Chirality, 2010, 22, E186-E201.
Ultrafast Vibrational Spectroscopy of Cyanophenols, Kyung-Koo Lee, Kwang-Hee Park, Jun-Ho Choi, Jeong-Hyon Ha, Seung-Joon Jeon, and Minhaeng Cho, J. Phys.Chem. A, 2010, 114, 2757–2767.
Integrated and dispersed photon echo studies of nitrile stretching vibration of 4-cyanophenol in methanol, Jeong-Hyon Ha, Kyung-Koo Lee, Kwang-Hee Park, Jun-Ho Choi, Seung-Joon Jeon, and Minhaeng Cho, J. Chem. Phys, 2009, 130, 204509.
Femtosecond characterization of vibrational optical activity of chiral molecules, Hanju Rhee, Young-Gun June, Jang-Soo Lee, Kyung-Koo Lee, Jeong-Hyon Ha, Zee Hwan Kim, Seung-Joon Jeon, and Minhaeng Cho, Nature, 2009, 458, 310.
Site-selective Intramolecular Hydrogen-Bonding Interactions in Phosphorylated Serine and Threonine Dipeptides, Kyung-Koo Lee, Eunmyung Kim, Cheonik Joo, Jaewook Song, Hogyu Han, and Minhaeng Cho, J. Phys. Chem. B, 2008, 112, 16782.
Classical and quantum mechanical/molecular mechanical molecular dynamics simulations of alanine dipeptide in water: Comparisons with IR and vibrational circular dichroism spectra, Kijeong Kwac, Kyung-Koo Lee, Jae Bum Han, Kwang-Im Oh, and Minhaeng Cho, J. Chem. Phys. 2008, 128, 105106.
Computational spectroscopy of ubiquitin: Comparison between theory and experiments, Jun-Ho Choi, Hochan Lee, Kyung-Koo Lee, Seungsoo Hahn, and Minhaeng Cho, J. Chem. Phys. 2007, 126, 045102.
Phosphorylation effect on the GSSS peptide conformation in water:Infrared, vibrational circular dichroism, and circular dichroism experimentsand comparisons with molecular dynamics simulations, Kyung-Koo Lee, Cheonik Joo,Seongeun Yang, Hogyu Han, Minhaeng Cho, J. Chem. Phys. 2007, 126, 235102.
Dipeptide Structure Determination by Vibrational Circular Dichroism Combined with Quantum Chemistry Calculations, Kyung-Koo Lee, Kwang-Im Oh, Hochan Lee, Cheonik Joo, Hogyu Han,and Minhaeng Cho, ChemPhysChem 2007, 8, 2218 – 2226.
Site-Specific Hydrogen-Bonding Interaction between N-Acetylproline Amide and Protic Solvent Molecules: Comparisons of IR and VCD Measurements with MD Simulations, Kwang-Im Oh, Jaebeom Han, Kyung-Koo Lee, Seungsoo Hahn, Hogyu Han, and Minhaeng Cho, J. Phys. Chem. A 2006, 110(50), 13355-13365.
Structure of N-Acetylproline Amide in Liquid Water: Experimentally Measured and Numerically Simulated Infrared and Vibrational Circular Dichroism Spectra, Kyung-Koo Lee, Seungsoo Hahn, Kwang-Im Oh, Jin Seok Choi, Cheonik Joo, Hochan Lee, Hogyu Han, and Minhaeng Cho, J. Phys. Chem. B 2006, 110 (38), 18834-18843.