게재논문

177.
Very-Large-Scale GPU-Accelerated Nuclear Gradient of Time-Dependent Density Functional Theory with Tamm-Dancoff Approximation and Range-Separated Hybrid Functionals

Inkoo Kim, Daun Jeong, Leah P. Weisburn, Alexandra Alexiu, Troy Van Voorhis, Young Min Rhee, Won-Joon Son, Hyung-Jin Kim, Jinkyu Yim, Sungmin Kim, Yeonchoo Cho, Inkook Jang, Seungmin Lee, Dae Sin Kim                                                                             Journal of Chemical Theory and Computation   2024,  20  (20)  , 9018-9031.

176.
Unveiling a common phase transition pathway of highdensity amorphous ices through time-resolved x-ray scattering

Cheolhee Yang, Marjorie Ladd-Parada, Kyeongmin Nam, Sangmin Jeong, Seonju You, Tobias Eklund, Alexander Späh, Harshad Pathak, Jae Hyuk Lee, Intae Eom, Minseok Kim, Fivos Perakis, Anders Nilsson, Kyung Hwan Kim, Katrin Amann-Winkel                 The Journal of  Chemical Physics   2024,  160  , 244503.

175.
UMRSF-TDDFT: Unrestricted Mixed-Reference Spin-Flip-TDDFT

Konstantin Komarov, Minseok Oh, Hiroya Nakata, Seunghoon Lee, Cheol Ho Choi                                                                                 The Journal of Physical Chemistry A  2024,  128  (43)  , 9526-9537.

174.
Two-dimensional radial-π-stacks in solution

Feng Su, Yongseok Hong, Guilan Zhang, Kongchuan Wu, Juno Kim, Zhi Chen, Hui-Jun Zhang, Dongho Kim, Jianbin Lin                    Chemical Science   2024,  15  (15)  , 5604-5611.

173.
Toward Consistent Predictions of Core/Valence Ionization Potentials and Valence Excitation Energies by MRSF-TDDFT

Woojin Park, Alireza Lashkaripour, Konstantin Komarov, Seunghoon Lee, Miquel Huix-Rotllant, Cheol Ho Choi                          Journal of Chemical Theory and Computation   2024,  20  (13)  , 5679-5694.

172.
Temperature Controlled Decay and Pendulum Dynamics of Green Fluorescent Protein (GFP) Chromophore

Woojin Park, Juwon Oh, Jinseok Kim, Seunghoon Lee, Ji Heon Kim, Miquel Huix-Rotllant, Dongho Kim, Cheol Ho Choi                    The Journal of Physical Chemistry Letters   2024,  15  (46)  , 11468-11475.

171.
Tailoring Electrochemical Water Oxidation Activity from the Isostructural Series of Alkaline-Stable Bimetallic Fe,Ni-Azolate Metal–Organic Frameworks

Minseok Kim, Jaewoo Jeong, Dong Hyun Kim, Geunchan Park, Jaekyung Yi, Sinhyeop Kim, Hyungjun Kim, Chang Hyuck Choi, Hyeyoung Shin, Sarah S. Park                                                                                                                                                                       Advanced Energy Materials   2024,  14  (31)  , 2401198.

170.
Surface adsorption of L-phenylalanine on silver colloidal nanoparticles investigated by surface-enhanced Raman spectroscopy

Daedu Lee, Sebok Lee, Yoonsoo Pang                                                                                                                                                            Surfaces and Interfaces   2024,  45  , 103922.

169.
Superconductivity of metastable dihydrides at ambient pressure

Heejung Kim, Ina Park, J. H. Shim, D. Y. Kim                                                                                                                                                       npj computational materials   2024,  10  , 173.

168.
Stoichiometric Engineering of Ag2S Nanocrystals to Realize High Performance for Organic-Inorganic Hybrid Photodiodes

Kyu Min Sim, Jisu Kwon, Jinhyuk Ma, Won Jun Pyo, Dowan Kim, Yunmo Sung, Sang Yong Nam, Taiha Joo, Sungjee Kim, Dae Sung Chung                                                                                                                                                                                                                 The Journal of Physical Chemistry C  2024,  128  (20)  , 8540-8548.

167.
Solvent-Induced Structural Rearrangement in Ultrasound-Assisted Synthesis of Metal-Organic Frameworks

Jaekyung Yi, Gyuwon Lee, Sarah S. Park                                                                                                                                                    Small Methods  2024,  8  (12)  , 2400363.

166.
Silver Sulfide Nanocrystals and Their Photodetector Applications

Jisu Kwon, Yoonbin Shin, Yunmo Sung, Hyunmi Doh, and Sungjee Kim                                                                                                      Accounts of Materials Research  2024,  5  (9)  , 1097-1108.

165.
Sculpting the Electronic Nano-Terrain on a Perovskite Film for Efficient Charge Transport

Taehee Kim, Do Hyung Chun, Dong Gue Roe, Wook Kim, Jiyeon Lee, Jiwon Kim, Dukhyun Choi, Dae-Geun Choi, Jeong Ho Cho, Jong Hyeok Park, Dongho Kim                                                                                                                                                                        ACS Nano  2024,  18  (36)  , 25337-25348.

164.
Recasting the wobbling-in-a-cone model for the rotational anisotropy of phenylselenocyanate in poly(methyl methacrylate): Effect of internal bond rotation and polymer segmental motion

Sourav Palchowdhury, Saptarsi Mondal, Kyungwon Kwak, Minhaeng Cho                                                                                                 The Journal of Chemical Physics  2024,  161  (21)  , 214112.

163.
Quantitative Analysis of the Li-Ion Solvation Structure in Li-Ion Battery Electrolytes Using ATR-FTIR Spectroscopy

Taewoo Kim, Minhaeng Cho, Kyungwon Kwak                                                                                                                                                  Analytical Chemistry  2024,  96  (40)  , 15924-15930.

162.
Quantifying thermal and nonthermal contributions to disorder in ultrashort laser irradiated germanium: Nonadiabatic quantum molecular dynamics study

Yungok Ihm, Je Young Ahn, Ji Hoon Shim                                                                                                                                                       Physical Review B  2024,  109  , 174306.

161.
Potential energy interpolation with target-customized weighting coordinates: application to excited-state dynamics of photoactive yellow protein chromophore in water

Seung Soo Kim, Young Min Rhee                                                                                                                                                                   Physical Chemistry Chemical Physics  2024,  26 (11)  , 9021-9036.

160.
OpenQP: A Quantum Chemical Platform Featuring MRSF-TDDFT with an Emphasis on Open-Source Ecosystem

Vladimir Mironov, Konstantin Komarov, Jingbai Li, Igor Gerasimov, Hiroya Nakata, Mohsen Mazaherifar, Kazuya Ishimura, Woojin Park, Alireza Lashkaripour, Minseok Oh, Miquel Huix-Rotllant, Seunghoon Lee, Cheol Ho Choi                                              Journal of Chemical Theory and Computation  2024,  20  (21)  , 9464-9477.

159.
Observation of ultrafast electrons in pendant-embedded conducting two-dimensional polymers

Yeonsang Lee, Minhyuk Choi, Ina Park, In-Chul Hwang, Sk. Atiur Rahaman, Hee Jun Shin, Pritam Giri, Moon-Ho Jo, Kangkyun Ba, Ilha Hwang, Ji Hoon Shim, Jun Sung Kim, Kimoon Kim                                                                                                                              Chem  2024,  10  (4)  , 1160-1174.

158.
Nanographene-Fused Expanded Carbaporphyrin Tweezers

Haodan He, Yu Jin Lee, Zhaohui Zong, Ningchao Liu, Vincent M. Lynch, Jinseok Kim, Juwon Oh, Dongho Kim, Jonathan L. Sessler, Xian-Sheng Ke                                                                                                                                                                                     Journal of the American Chemical Society  2024,  146  (1)  , 543-551.

157.
Multiple Roles of Magic-Sized Clusters in Quantum Dot Synthesis

Eunjae Lee, Yongju Kwon, Anastasia Agnes, Youngjae Ryu, Sungjee Kim                                                                                                     The Journal of Physical Chemistry C  2024,  128  (4)  , 1809-1818.

156.
Molecular Photothermal Effect on the 2D-IR Spectroscopy of Acetonitrile-Based Li-Ion Battery Electrolytes

So Yeon Chun, Joong Won Shim, Kyungwon Kwak, Minhaeng Cho                                                                                                               The Journal of Physical Chemistry Letters  2024,  15  (28)  , 7302-7311.

155.
Molecular Design for Stable Near-Infrared-II Two-Photon Excitation-Induced Photoacoustic Contrast Agents Based on Donor-Substituted BODIPYs

Takahide Shimada, Takashi Kaneko, Yusuke Notsuka, Jinseok Kim, Shigeki Mori, Soji Shimizu, Jiwon Kim, Kenji Kamada, Dongho Kim, Yoshihisa Yamaoka, Hiroyuki Furuta, Masatoshi Ishida                                                                                                                       ACS Applied Optical Materials 2024,  2  (1)  , 211-219.

154.
Lithiation-driven cascade dissolution coprecipitation of sulfide superionic conductors

Mukarram Ali, Seunggu Kim, Seungha Kim, Seongyeon Kwon, Yunseop Choi, You-Jin Lee, Jun-Woo Park, Jeong-Hee Choi, Changhyeon Kim, Jongcheol Seo, Hye Ryung Byon, Yoon-Cheol Ha                                                                                                              Energy Storage Materials 2024,  74  , 103938.

153.
Isomerism of Cyclodextrin Tetramer Induced by Alkali Halide Cluster Ions Observed by Ion Mobility Spectrometry-Mass Spectrometry

Jiyeon Lee, Yunyoung Ahn, Minsu Kim, Jongcheol Seo                                                                                                                                    Journal of the American Society for Mass Spectrometry  2024,  35  (3) , 622-630.

152.
Inverted nucleation for photoinduced nonequilibrium melting

Junha Hwang, Yungok Ihm, Daewoong Nam, Jaeyong Shin, Eunyoung Park, Sung Yun Lee, Heemin Lee, Seung-Phil Heo, Sangsoo Kim, Je Young Ahn, Ji Hoon Shim, Minseok Kim, Intae Eom, Do Young Noh, Changyong Song                                                Science Advances  2024,  10  (18) , eadl6409.

151.
Intramolecular charge transfer dynamics of anthraquinone derivatives in the confined environments of reverse micelles

Taehyung Jang, Sebok Lee, Suhyun Park, Hohjai Lee, Yoonsoo Pang                                                                                                           Journal of Molecular Liquids  2024,  412 , 125791.

150.
Inner-Bond-Cleavage Approach to Figure-Eight Macrocycles from Planar Aromatic Hydrocarbons

Reiji Yoshina, Junichiro Hirano, Emiko Nishimoto, Yuki Sakamoto, Keita Tajima, Shunsuke Minabe, Muhammet Uyanik, Kazuaki Ishihara, Tomoyuki Ikai, Eiji Yashima, Takuya Omine, Fumitaka Ishiwari, Akinori Saeki, Jinseok Kim, Juwon Oh, Dongho Kim, Guanting Liu, Takuma Yasuda, Hiroshi Shinokubo, Norihito Fukui                                                                                                              Journal of the American Chemical Society  2024,  146  (43), 29383-29390.

149.
Generation of 1 MHz 15 fs pulses in the near-infrared with high energy and their application to time-resolved spectroscopy

Munnyon Kim, Changmin Lee, Pyoungsik Shin, and Taiha Joo                                                                                                                       Optics Express  2024,  32  (21), 36577-36585.

148.
Fabricating Large-Area Thin Films of 2D Conductive Metal-Organic Frameworks

Hyebeen Jeong, Geunchan Park, Jaemin Jeon, Sarah S. Park                                                                                                                          Accounts of Chemical Research  2024,  57  (16), 2336-2346.

147.
Enhanced Microstructural Uniformity in Sulfuric-Acid-Treated Poly(3,4-Ethylenedioxythiophene):Poly(Styrene Sulfonate)Films Using Raman Map Analysis

Hyewon Kim, Jiyeong Park, Jaehee Jang, Nurwarrohman Andre Sasongko, Jaeseong Heo, Songyi Lee, Kyungwon Kwak, Seyoung Kee, Myeongkee Park                                                                                                                                                                                 Macromol Rapid Commun  2024,  45  (18), e2400299.

146.
Electride Formation of HCP-Iron at High Pressure:Unraveling the Origin of the Superionic State of Iron-RichCompounds in Rocky Planets

Ina Park, Yu He, Ho-kwang Mao, Ji Hoon Shim, Duck Young Kim                                                                                                                   Advanced Science  2024,  11  (24), 2308177.

145.
Dynamic embedding of effective harmonic normal mode vibrations in all-atomistic energy gap fluctuations: Case study of light harvesting 2 complex

Kwang Hyun Cho, Seogjoo J. Jang, Young Min Rhee                                                                                                                                         The Journal of Chemical Physics  2024,  160  (18), 184104.

144.
Cyclic Azobenzene-BODIPY Hybrids

Bin Wen, Chao Li, Byeongjoo Kang, Tao Zheng, Yi Wang, Yibei Jiang, Ling Xu, Juwon Oh, Atsuhiro Osuka, Dongho Kim, Jianxin Song                                                                                                                                                                                                               Chemistry – A European Journal  2023,  30 (6)  , e202303193.

143.
Crystallographic and Photophysical Analysis on Facet-Controlled Defect-Free Blue-Emitting Quantum Dots

Yu Jin Lee, Sungwoo Kim, Junho Lee, Eunseog Cho, Yu-ho Won, Taehyung Kim, Dongho Kim                                                                 Advanced Materials  2024,  36 (16)  , 2311719.

142.
Clean realization of Hund’s physics near the Mott transition

Ina Park, Bo Gyu Jang, Dong Wook Kim, Ji Hoon Shim, Gabriel Kotliar                                                                                                          Physical Review B  2024,  109  , 045146.

142.
Clean realization of Hund’s physics near the Mott transition

Ina Park, Bo Gyu Jang, Dong Wook Kim, Ji Hoon Shim, Gabriel Kotliar                                                                                                          Physical Review B  2024,  109  , 045146.

141.
Chiral sensing of glucose by surface-enhanced Raman spectroscopy

Daedu Lee, Yoonsoo Pang                                                                                                                                                                              Analytica Chimica Acta  2024,  13300  , 343290.

140.
Chemoexcited Formation and Radiationless Decay Dynamics of Firefly Chromophore

Maryam Farmani, Seunghoon Lee, Tao Zeng, Cheol Ho Choi                                                                                                                   The Journal of Physical Chemistry Letters  2024,  15 (37)  , 9518-9524.

139.
Au25 Cluster-Based Atomically Precise Coordination Frameworks and Emission Engineering through Lattice Symmetry

Sinhyeop Kim, Hyesun Kim, Changhoon Lee, Ina Park, Younghoon Kim, Dohyun Moon, Ji Hoon Shim, Sunmin Ryu, Sarah S. Park ACS Nano  2024,  18 (42)  , 29036-29044.

138.
Au25 Cluster-Based Atomically Precise Coordination Frameworks and Emission Engineering through Lattice Symmetry

Sinhyeop Kim, Hyesun Kim, Changhoon Lee, Ina Park, Younghoon Kim, Dohyun Moon, Ji Hoon Shim, Sunmin Ryu, Sarah S. Park ACS Nano  2024,  18 (42)  , 29036-29044.

137.
Anomalous proton transfer of a photoacid HPTS in nonaqueous reverse micelles

Taehyung Jang, Sebok Lee, Yoonsoo Pang                                                                                                                                                   Physical Chemistry Chemical Physics  2024,  26 (15)  , 11283-11294.

136.
Analysis of Fluorescent Proteins for Observing Single Gene Locus in a Live and Fixed Escherichia coli Cell

Jung Bae Son, Seunghyeon Kim, Sora Yang, Youmin Ahn, Nam Ki Lee                                                                                                      The Journal of Physical Chemistry B  2024,  128 (28)  , 6730-6741.

135.
Acid-Dependent Charge Transport in a Solution-Processed 2D Conductive Metal-Organic Framework

Geunchan Park, Monique C. Demuth, Christopher H. Hendon, Sarah S. Park                                                                                           Journal of the American Chemical Society  2024,  146 (16)  , 11493-11499.

134.
Accelerated Amyloid Aggregation Dynamics of Intrinsically Disordered Proteins in Heavy Water

Myung Kook Son, Dongjoon Im, Da Gyeong Hyun, Soohyeong Kim, So Yeon Chun, Jeong-Mo Choi, Tae Su Choi, Minhaeng Cho, Kyungwon Kwak, Hugh I. Kim                                                                                                                                                                         The Journal of Physical Chemistry Letters  2024,  15 (47)  , 11823-11829.

133.
A Janus carbaporphyrin pseudo-dimer

Haodan He, Jiyeon Lee, Zhaohui Zong, Jiwon Kim, Vincent M. Lynch, Juwon Oh, Dongho Kim, Jonathan L. Sessler, Xian-Sheng Ke Nature Communications  2024,  15  , 2913.

132.
Water-Ion Interaction Determines the Mobility of Ions in Highly Concentrated Aqueous Electrolytes

Jungyu Kim, Bonhyeop Koo, Anahita Khammari, Kwanghee Park, Hochun Lee, Kyungwon Kwak, Minhaeng Cho                               ACS Appl Mater Interfaces  2024,  16 (8) , 10033-10041.

131.
Unlocking the Potential of Lithium Metal Batteries With a Sulfite-Based Electrolyte

Thuy Duong Pham, Abdullah Bin Faheem ,Junam Kim Kyungwon Kwak, Kyung-Koo Lee                                                                        Advanced Functional Materials  2023,  33 (46) , 2305284.

130.
Ultrafast photoisomerization mechanism of azaborine revealed by nonadiabatic molecular dynamics simulations

Jeong Sangmin, Park Eunji, Kim Joonghan, Kim Kyung Hwan                                                                                                                        Physical Chemistry Chemical Physics  2023,  25 (26) , 17230-17237.

129.
Ultrafast Excited State Aromatization in Dihydroazulene

Svetlana Shostak, Woojin Park, Juwon Oh, Jinseok Kim, Seunghoon Lee, Hyeongwoo Nam, Michael Filatov, Dongho Kim, Cheol Ho Choi                                                                                                                                                                                                            Journal of the American Chemical Society  2023, 145 (3)  , 1638-1648. 

128.
Toward Accurate Prediction of Ion Mobility in Organic Semiconductors by Atomistic Simulation

Hiroya Nakata, Hirotaka Kitoh-Nishioka, Wakana Sakai, Cheol Ho Choi                                                                                                       Journal of Chemical Theory and Computation  2023, 19 (5)  , 1517-1528. 

127.
The Role of a-Synuclein in SNARE-mediated Synaptic Vesicle Fusion

Gyeongji Yoo, Yeon-Kyun Shin, Nam Ki Lee                                                                                                                                           Journal of Molecular Biology  2023, 435 (1)  , 167775. 

126.
Stable Antiaromatic [24]Hexaphyrin(1.1.0.0.1.0) and Its Metal Complexes

Yang Liu, Ling Xu, Yutao Rao, Jinseok Kim, Bangshao Yin, Mingbo Zhou, Juwon Oh, Dongho Kim, Jianxin Song, Atsuhiro Osuka    Organic Letters  2023, 25 (45)  , 8121-8126. 

125.
Solvent Effects and pH Dependence of the X-ray Absorption Spectra of Proline from Electrostatic Embedding Quantum Mechanics/Molecular Mechanics and Mixed-Reference Spin-Flip Time-dependent Density-Functional Theory

Marc Alas-Rodrguez, Simone Bonfrate, Woojin Park, Nicolas Ferr, Cheol Ho Choi, Miquel Huix-Rotllant                                              The Journal of Physical Chemistry A  2023,  127 (49)  , 10382-10392. 

124.
Slow solvation dynamics beyond dielectric relaxation by three-pulse photon echo peak shift

JunWoo Kim, Pyoungsik Shin, Taiha Joo                                                                                                                                                        The Journal of Chemical Physics  2023,  159 (6), 064508.

123.
Single-Benzene Dual-Emitters Harness Excited-State Antiaromaticity for White Light Generation and Fluorescence Imaging

Younghun Kim, Heechan Kim, Jung Bae Son, Michael Filatov, Cheol Ho Choi, Nam Ki Lee, Dongwhan Lee                                    Angewandte Chemie International Edition  2023,  62 (20)  , e202302107. 

122.
Revisiting Ultrafast Dynamics in Carbonate-Based Electrolytes for Li-Ion Batteries: Clarifying 2D-IR Cross-Peak Interpretation

Chaiho Lim, Jonggu Jeon, Kwanghee Park, Chungwen Liang, Yeongseok Chae, Kyungwon Kwak, Minhaeng Cho                                The Journal of Physical Chemistry B  2023,  127 (44)  , 9566-9574. 

121.
Prototropically Controlled Dynamics of Cytosine Photodecay

Saima Sadiq, Woojin Park, Vladimir Mironov, Seunghoon Lee, Michael Filatov, Cheol Ho Choi                                                               The Journal of Physical Chemistry Letters  2023,  14 (3)  , 791-797. 

120.
Protomer of Imipramine Captured in Cucurbit[7]uril

Jiyeon Lee, Hyerim Kim, Hochan Lee, Deepak R. Boraste, Kimoon Kim, and Jongcheol Seo                                                                     The Journal of Physical Chemistry A  2023,  127 (51)  , 10758-10765. 

119.
Prediction of stable radon fluoride molecules and geometry optimization using first-principles calculations

Jaeeun Kang, Ina Park, Ji Hoon Shim, Duck Young Kim & Wooyong Um                                                                                             Scientific Reports  2023,  13  , 2898. 

118.
Photochemistry of Thymine in Solution and DNA Revealed by an Electrostatic Embedding QM/MM Combined with Mixed-Reference Spin-Flip TDDFT

Miquel Huix-Rotllant, Karno Schwinn, Vladimir Pomogaev, Maryam Farmani, Nicolas Ferr, Seunghoon Lee, Cheol Ho Choi          Journal of Chemical Theory and Computation  2023,  19 (1) , 147-156. 

117.
Optical Transitions of a Single Nodal Ring in SrAs3: Radially and Axially Resolved Characterization

Jiwon Jeon, Jiho Jang, Hoil Kim, Taesu Park, Dongwook Kim, Soonjae Moon, Jun Sung Kim, Ji Hoon Shim, Hongki Min, Eunjip Choi                                                                                                                                                                                                                         Physical Review Letters  2023,  131, 236903. 

116.
Multiplexing near­infrared quantum dot fluorescence through vibrational and electronic transition signatures

Lee Hyunjung, Yang Sungbin, Lee Junhwa, Kim Sungjee, Jeong Sanghwa                                                                                                  Bulletin of the Korean Chemical Society  2023,  44 (5), 384-389. 

115.
Molecular Mechanism of Selective Al2O3 Atomic Layer Deposition on Self-Assembled Monolayers

Youngjin Choi, Hyeng Jin Kim, Eunchan Kim, Huiyeong Kang, Junhyeok Park, Young Rag Do, Kyungwon Kwak,  Minhaeng Cho     ACS Applied Materials & Interfaces  2023,  15 (34), 41170-41179. 

114.
Modified Fermi`s golden rule rate expressions

Seogjoo J. Jang, Young Min Rhee                                                                                                                                                                       The Journal of Chemical Physics  2023,  159 (1), 014101. 

113.
Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory: Multireference Advantages with the Practicality of Linear Response Theory

Woojin Park, Konstantin Komarov, Seunghoon Lee, Cheol Ho Choi                                                                                                            The Journal of Physical Chemistry Letters  2023,  14 (39) , 8896-8908. 

112.
Micro-Raman spectroscopic analysis of liquid-liquid phase separation

Suin Choi, So Yeon Chun, Kyungwon Kwak, Minhaeng Cho                                                                                                                           Physical Chemistry Chemical Physics  2023,  25 (13) , 9051-9060. 

111.
Melting domain size and recrystallization dynamics of ice revealed by time-resolved x-ray scattering

Cheolhee Yang, Marjorie Ladd-Parada, Kyeongmin Nam, Sangmin Jeong, Seonju You, Alexander Späh, Harshad Pathak, Tobias Eklund, Thomas J. Lane, Jae Hyuk Lee, Intae Eom, Minseok Kim, Katrin Amann-Winkel, Fivos Perakis, Anders Nilsson & Kyung Hwan Kim                                                                                                                                                                                                     Nature Communications  2023,  14 , 3313. 

110.
Liquid-liquid phase separation in supercooled water from ultrafast heating of low-density amorphous ice

Katrin Amann-Winkel, Kyung Hwan Kim, Nicolas Giovambattista, Marjorie Ladd-Parada, Alexander Späh, Fivos Perakis, Harshad Pathak, Cheolhee Yang, Tobias Eklund, Thomas J. Lane, Seonju You, Sangmin Jeong, Jae Hyuk Lee, Intae Eom, Minseok Kim, Jaeku Park, Sae Hwan Chun, Peter H. Poole & Anders Nilsson                                                                                                              Nature Communications  2023,  14 , 442. 

109.
Kohn-Sham time-dependent density functional theory with Tamm-Dancoff approximation on massively parallel GPUs

Inkoo Kim, Daun Jeong, Won-Joon Son, Hyung-Jin Kim, Young Min Rhee, Yongsik Jung, Hyeonho Choi, Jinkyu Yim, Inkook Jang & Dae Sin Kim                                                                                                                                                                                                           npj Computational Materials   2023,  9 , 81. 

108.
High-performance strategies for the recent MRSF-TDDFT in GAMESS

Konstantin Komarov, Vladimir Mironov, Seunghoon Lee, Buu Q. Pham, Mark S. Gordon, Cheol Ho Choi                                             The Journal of Chemical Physics  2023,  158 (19), 194105. 

107.
Excited State Intramolecular Proton Transfer Dynamics of Derivatives of the Green Fluorescent Protein Chromophore

Junghwa Lee, Pyoungsik Shin, Pi-Tai Chou, Taiha Joo                                                                                                                           International Journal of Molecular Sciences  2023,  24 (4), 3448. 

106.
Enhancing thermoelectric performance via relaxed spin polarization upon magnetic impurity doping

Min Young Kim, Dongwook Kim, Gwansik Kim, Wooyoung Lee, Nicolas Perez, Kornelius Nielsch, Ji Hoon Shim, Hyungyu Jin         Journal of Materials Chemistry A   2023,  11 (23), 12013-12024. 

105.
Electrochemical control of surface passivation and deformation in InP nanotetrapods

Jumi Park, Eunhye Cho, Kyoungwon Park, Sohee Jeong, Dongho Kim                                                                                                          Applied Surface Science   2023,  641 , 158524. 

104.
Doubly Tuned ExchangeCorrelation Functionals for Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory

Konstantin Komarov, Woojin Park, Seunghoon Lee, Miquel Huix-Rotllant, Cheol Ho Choi                                                                    Journal of Chemical Theory and Computation   2023,  19 (21), 7671-7684. 

103.
Distinguishing Protein Chemical Topologies Using Supercharging Ion Mobility SpectrometryMass Spectrometry

Jiyeon Lee, Dahye Im, Yajie Liu, Jing Fang, Xibao Tian, Minsu Kim, Wen-Bin Zhang, Jongcheol Seo                                                       Angewandte Chemie International Edition   2023,  62 (51), e202314980. 

102.
Cyclic Carbaporphyrin Arrays

Haodan He, Seokwon Lee, Ningchao Liu, Xiaotong Zhang, Yuying Wang, Vincent M Lynch, Dongho Kim, Jonathan L Sessler, Xian-Sheng Ke                                                                                                                                                                                                  Journal of the American Chemical Society   2023,  145 (5), 3047-3054. 

101.
Controlling π-π Interactions of Highly Soluble Naphthalene Diimide Derivatives for Neutral pH Aqueous Redox Flow Batteries

Vikram Singh, Seongyeon Kwon, Yunseop Choi, Seongmo Ahn, Gyumin Kang, Yelim Yi, Mi Hee Lim, Jongcheol Seo, Mu-Hyun Baik, Hye Ryung Byon                                                                                                                                                                             Advanced Materials   2023,  35 (13) , 2210859.

100.
Charge Injection and Energy Transfer of Surface-Engineered InP/ZnSe/ZnS Quantum Dots

Jumi Park,Taehee Kim, Dongho Kim                                                                                                                                                            Nanomaterials   2023,  13 (7), 1159.

99.
Accurate SpinOrbit Coupling by Relativistic Mixed-Reference Spin-Flip-TDDFT

Konstantin Komarov, Woojin Park, Seunghoon Lee, Tao Zeng, Cheol Ho Choi                                                                                 Journal of Chemical Theory and Computation  2023,  19 (3) , 953-964 .

98.
A Single-domain Protein Catenane of Dihydrofolate Reductase

Jing Fang, Tianzuo Li, Jiyeon Lee, Dahye Lim, Lianjie Xu, Yajie Liu, Jongcheol Seo, Wen-Bin Zhang                                                        National Science Review  2023,  10 (11), nwad304 .

97.
α-Synuclein Disrupts Vesicle Fusion by Two Mutant-Specific Mechanisms

Gyeongji Yoo, Hyeong Jeon An, Sanghun Yeou and Nam Ki Lee                                                                                                                  Molecules and Cells  2022,  45 (11), 806-819.

96.
Wettability of graphene, water contact angle, and interfacial water structure

Donghwan Kim, Eunchan Kim, Sohyun Park, Seungah Kim, Byoung Koun Min, Hyo Jae Yoon, Kyungwon Kwak, Minhaeng Cho      Chem  2022,  7 (6), 1602-1614.

95.
Ultrafast Symmetry-Breaking Charge Separation in a Perylene Bisimide Dimer Enabled by Vibronic Coupling and Breakdown of Adiabaticity

Yongseok Hong, Felix Schlosser, Woojae Kim, Frank Würthner, Dongho Kim                                                                                  Journal of the American Chemical Society   2022, 144 (34) , 15539-15548.

94.
Ultrafast Continuum IR Generation and Its Application in IR Spectroscopy

Chaiho Lim, Kwanghee Park, Yeongseok Chae, Kyungwon Kwak, Minhaeng Cho                                                                                 International Journal of Molecular Sciences  2022, 23 (21) , 13245.

93.
Ultrafast Cation Exchange in Supra-Quantum Dots through Nanoporous Internal Structure

Hyunmi Doh, Juwon Park, Jiwon Bang, Sanghwa Jeong, Wonseok Lee, Ho Jin and Sungjee Kim                                                        The Journal of Physical Chemistry C  2022, 126 (40) , 17036-17044.

92.
Two-dimensional electronic spectrum simulation of simple photosynthetic complex models with semi-classical Poisson bracket mapping equation

Hyun Woo Kim, Young Min Rhee
Bulletin of the Korean Chemical Society  2022, 43 (3) , 355-363.

91.
Twisted intramolecular charge transfer of nitroaromatic push-pull chromophores

Sebok Lee, Myungsam Jen, Taehyung Jang, Gisang Lee & Yoonsoo Pang
Scientific Reports  2022, 12 , 6557.

90.
Trapping Alkali Halide Cluster Ions Inside the Cucurbit[7]uril Cavity

Jiyeon Lee, Seongjae Jang, Minsu Kim, Deepak R. Boraste, Kimoon Kim, Kyeng Min Park, Jongcheol Seo
The Journal of Physical Chemistry Letters  2022, 13 (41), 9581-9588.

89.
Temperature-Dependent Fluorescence of mPlum Fluorescent Protein from 295 to 20 K

Taecheon Lyu, So Hyeong Sohn, Ralph Jimenez, Taiha Joo                                                                                                                             The Journal of Physical Chemistry B 2022, 126 (12), 2337-2344.

88.
Steering the multiexciton generation in slip-stacked perylene dye array via exciton coupling

Yongseok Hong, Maximilian Rudolf, Munnyon Kim, Juno Kim, Tim Schembri, Ana-Maria Krause, Kazutaka Shoyama, David Bialas, Merle I. S. Röhr, Taiha Joo, Hyungjun Kim, Dongho Kim & Frank Würthner                                                                             Nature Communications  2022, 13 , 4488.

87.
Spin-Peierls Distortion of TiPO4 Causing a Transition from a Magnetic to a Nonmagnetic Insulating State and Its Effect on the Thermoelectric Properties: Density Functional Theory Analysis

Changhoon Lee, Hyun-Joo Koo, Taesu Park, Won-Joon Son, Ji Hoon Shim, Myung-Hwan Whangbo                                                 Inorganic Chemistry  2022, 61 (9) , 3843-3850.

86.
Solvation structure of phosphonium ionic liquid/CH3SCN mixture as electrolytes for Li-ion batteries: Infrared pump-probe spectroscopic studies

Prabhat Kumar Sahu, Jungyu Kim, Kwanghee Park, Eunchan Kim, Saptarsi Mondal, Kyungwon Kwak, Minhaeng Cho          Bulletin of the Korean Chemical Society  2022, 43 (2) , 215-221.

85.
Skin-Deep Aspect of Thermopower in Bi2Q3, PbQ and BiCuQO (Q  Se Te): Hidden One-Dimensional Character of Their Band Edges Leading to High Thermopower

Changhoon Lee, Taesu Park, Ji Hoon Shim and Myung-Hwan Whangbo                                                                                           Accounts of Chemical Research  2022, 55 (19), 2811-2820.

84.
Shape-Tuned Multiphoton-Emitting InP Nanotetrapods

Taehee Kim, Youngsik Kim, Seongmin Park, Kyoungwon Park, Zhen Wang, Sang Ho Oh, Sohee Jeong, Dongho Kim         Advanced Materials  2022, 34 (19), 2110665.

83.
Pyrene-Bridged Expanded Carbaporphyrin Nanobelts

Yuying Wang, Xian-Sheng Ke, Seokwon Lee, Seongsoo Kang, Vincent M Lynch, Dongho Kim, Jonathan L Sessler
Journal of the American Chemical Society  2022, 144 (21), 9212-9216.

82.
Orbital Order Melting at Reduced Dimensions

Yong-Jin Kim, Changhoon Lee, Heung-Sik Park, Youngki Yeo, Giovanni Annur Safarina, Duc Duy Le, Jeong-Gyu Kim, Daehyeon Bang, Byeong-Gwan Cho, Jae-Hoon Park, Kyung-Tae Ko, Tae Yeong Koo, Ji Hoon Shim, Chan-Ho Yang
Nano Letters  2022, 22 (3) , 1059-1066.

81.
Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory for Accurate Xray Absorption Spectroscopy

Woojin Park, Marc Alas-Rodrguez, Daeheum Cho, Seunghoon Lee, Miquel Huix-Rotllant and Cheol Ho Choi
Journal of Chemical Theory and Computation  2022, 18 (10) , 6240-6250.

80.
Manifestations of strong electron correlation in polyacene: Fundamental gap, density of states, and photoconductivity

Anna Pomogaeva, Michael Filatov, Cheol Ho Choi
Carbon Trends  2022, 7 , 100146.

79.
Magnetic Structure and Origin of Insulating Behavior in the Ba2CuOsO6 System, and the Role of A-Site Ionic Size in Its Bandgap Opening: Density Functional Theory Approaches

Taesu Park, Wang Ro Lee, Won-Joon Son, Ji-Hoon Shim, Changhoon Lee
Nanomaterials  2021, 12 (1), 144.

78.
Lithium-Ion Solvation Structure in Organic Carbonate Electrolytes at Low Temperatures

Yeongseok Chae, Chaiho Lim, Jonggu Jeon, Minju Kim, Kyung-Koo Lee, Kyungwon Kwak, Minhaeng Cho
The Journal of Physical Chemistry Letters 2022, 13 (33), 7881-7888.

77.
Important role of alloyed polymer acceptor for high efficiency and stable large-area organic photovoltaics

Sungmin Park, So Hyun Park, Hyungjung Jin, Seongwon Yoon, Hyungju Ahn, Seoeun Shin, Kyungwon Kwak, Sanghee Nah, Eul-Yong Shin, Jun Hong Noh, Byoung Koun Min, Hae Jung Son
Nano Energy  2022, 98, 107187.

76.
Impact of Molecular Weight on Molecular Doping Efficiency of Conjugated Polymers and Resulting Thermoelectric Performances

Sang Eun Yoon, Bomi Kim, So Yeon Chun, Sang Yeon Lee, Dohyeon Jeon, Minju Kim, Solin Lee, Bo Eun Seo, kang Suh Choi, Felix Sunjoo Kim, Taekyeong Kim, Hyungtak Seo, Kyungwon Kwak, Jong H. Kim, BongSoo Kim
Advanced Functional Materials  2022, 32 (32), 2202929.

75.
Exploring two-dimensional van der Waals heavy-fermion material: Data mining theoretical approach

Bo Gyu Jang, Changhoon Lee, Jian-Xin Zhu, Ji Hoon Shim
npj 2D Materials and Applications  2022, 6, 80.

74.
Enhanced band-filling effect in halide perovskites via hydrophobic conductive linkers

Jung Hwan Lee, Taehee Kim, Seulki Song, Yongchul Kim, Sooeun Shin, Sunje Lee, Younghoo Kim, Young Jin Choi, Sungsoon Kim, Kan Zhang, Jeong Ho Cho, Hyunjung Shin, Geunsik Lee, Nam-Gyu Park, Dongho Kim, Jangwon Seo, Jong Hyeok Park
Cell Reports Physical Science 2022, 3 (3), 100800.

73.
Dual Fluorescence of Octatetraene Hints at a Novel Type of Singlet-to-Singlet Thermally Activated Delayed Fluorescence Process

Woojin Park, Jun Shen, Seunghoon Lee, Piotr Piecuch, Taiha Joo, Michael Filatov, Cheol Ho Choi
The Journal of Physical Chemistry C 2022, 126 (35), 14967-14985.

72.
DNA Bending Force Facilitates ZDNA Formation under Physiological Salt Conditions

Jaehun Yi, Sanghun Yeou and Nam Ki Lee
Journal of the American Chemical Society  2022, 144 (29), 13137-13145.

71.
Cytosine methylation regulates DNA bendability depending on the curvature

Sanghun Yeou, Jihee Hwang, Jaehun Yi, Cheolhee Kim, Seong Keun Kim, Nam Ki Lee                                                                              Chemical Science 2022, 13 (25), 7516-7525.

70.
Composite silver nanosurfaces of dipole and quadrupole surface plasmon resonances for fluorescence enhancements

Daedu Lee, Gyounghyun Song, Yoonsoo Pang                                                                                                                                                 Bulletin of the Korean Chemical Society 2022, 43 (1), 35-39.

69.
Coherent Vibrational spectrum via Time-Reseolved Fluorescence for Molecular Dynamics and Identification of Emitting Species-Application to Excied-State  Intramaolcular Proton Transfer

Seung Noh Lee, Jungsoo Ahn, and Taiha Joo                                                                                                                                                 The Journal of Physical Chemistry A 2022, 126 (30), 4962-4968.

68.
Chemical Vapor Deposition of Edge-on Oriented 2D Conductive Metal-Organic Framework Thin Films

Myeonggeun Choe, Jin Young Koo, Ina Park, Hiroyoshi Ohtsu, Ji Hoon Shim, Hee Cheul Choi, Sarah S. Park                                      Journal of the American Chemical Society 2022, 144 (37), 16726-16731.

67.
Accelerated Deep Learning Dynamics for Atomic Layer Deposition of Al(Me)(3) and Water on OH/Si(111)

Hiroya Nakata, Michael Filatov, Cheol Ho Choi                                                                                                                                            ACS Applied Materials & Interfaces 2022, 14 (22), 26116-26127.

66.
A Plausible Mechanism of Uracil Photohydration Involves an Unusual Intermediate

Woojin Park, Michael Filatov Gulak, Saima Sadiq, Igor Gerasimov, Seunghoon Lee, Taiha Joo and Cheol Ho Choi
The Journal of Physical Chemistry Letters 2022, 13 (30), 7072-7080.

65.
5-Thiaporphyrinium cation: effect of sulphur incorporation on excited state dynamics

Asahi Takiguchi, Naoto Inai, Seongsoo Kang, Masaya Hagai, Seokwon Lee, Takeshi Yanai, Dongho Kim, Hiroshi Shinokubo
Chemical Communications 2022, 58 (40), 5956-5959.

64.
α-Synuclein disease mutant-type dependent disruption of vesicle fusion by two distinct mechanisms

Gyeongjii Yoo, Hyeong Jeon An, Sanghun Yeou, Nam Ki Lee
Molecular Cells 2022, 45 (11), 806-819.

63.
Zwitterion-Coated Colloidal Magnetic Nanoparticle Clusters for Reduced Nonspecific Adsorption of Biomolecules

Gyudong Lee, Jaejung Song, Hyunsoo Han, Donghoon Kwon, Joonhyuck Park, Sangmin Jeon, Sanghwa Jeong, Sungjee Kim
Bioconjugate Chemistry 2021, 32 (6), 1052-1057.

62.
Twisted Intramolecular Charge Transfer of Nitroaromatics Push-pull Chromophores

Sebok Lee, Myungsam Jen, Taehyung Jang, Gisang Lee, Yoonsoo Pang
Scientific Reports 2022, 12, 6557.

61.
Tunable high-temperature itinerant antiferromagnetism in a van der Waals magnet

Junho Seo, Eun Su An, Taesu Park, Soo-Yoon Hwang, Gi-Yeop Kim, Kyung Song, Woo-suk Noh, J. Y. Kim, Gyu Seung Choi, Minhyuk Choi, Eunseok Oh, Kenji Watanebe, Takashi Taniguchi, J. -H. Park, Youn Jung Jo, Han Woong Yeom,  Si-Young Choi, Ji Hoon Shim, Jun Sung Kim
Nature Communications 2021, 12, 2844.

60.
Three States Involving Vibronic Resonance is a Key to Enhancing Reverse Intersystem Crossing Dynamics of an Organoboron-Based Ultrapure Blue Emitter

Kim Inkoo, Cho Kwang Hyun, Jeon Soon Ok, Son Won-Joon, Kim Dongwook, Rhee Young Min, Jang Inkook, Choi Hyeonho, Kim Dae Sin
JACS Au 2021, 1 (7), 987-997.

59.
Theoretical Engineering of Singlet Fission Kinetics in Perylene Bisimide Dimer with Chromophore Rotation

Yongseok Hong, Juno Kim, Dongho Kim, Hyungjun Kim
The Journal of Physical Chemistry A 2021, 125 (3), 875-884.

58.
Temperature-Dependent Fluorescence of mPlum Fluorescent Protein from 295 K to 20 K

Taecheon Lyu, So Hyeong Sohn, Ralph Jimenez, Taiha Joo
The Journal of Physical Chemistry B 2022, 126 (12), 2337-2344.

57.
Switching resonance character within merocyanine stacks and its impact on excited-state dynamics

Taeyeon Kim, Seongsoo Kang, Eva Kirchner, David Bialas, Woojae Kim, Frank Würthner, Dongho Kim
Chem 2021, 7 (3), 715-725.

56.
Surface adsorption of hydroxyanthraquinones on CTAB-modified gold nanosurfaces

Juhyun Yeo, Daedu Lee, Yoonsoo Pang
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 2021, 251, 119408.

55.
Substituent Effects on the Vibrational Properties of the CN Stretch Mode of Aromatic Nitriles: IR Probes Useful for Time-resolved IR Spectroscopy

Suin Choi, Junyoung Park, Kyungwon Kwak, Minhaeng Cho
Chemistry - an Asian Journal  2021, 16 (18), 2626-2632.

54.
Strong Electronic Coupling-Induced Ultrafast Charge Transfer in DonorPyreneAcceptor Systems

Jumi Park, Jooyoung Sung, Dongho Kim
The Journal of Physical Chemistry Letters  2021, 12 (9), 2226-2231.

53.
Solvation Structure around Li+ Ions in Organic Carbonate Electrolytes: Spacer-Free Thin Cell IR Spectroscopy

Chaiho Lim, Joo Hyun Kim, Yeongseok Chae, Kyungwon Kwak, Minhaeng Cho
Analytical Chemistry 2021, 93 (37) , 12594-12601.

52.
Single-Molecule Methods for Investigating the Double-Stranded DNA Bendability

Yeou Sanghun, Lee Nam Ki 
Molecules and Cells 2022, 45 (1) , 33-40.

51.
Signatures of Conical Intersection Dynamics in the Time-Resolved Photoelectron Spectrum of Furan: Theoretical Modeling with an Ensemble Density Functional Theory Method

Michael Filatov, Sseunghoon Lee, Hiroya Nakata, Cheol-Ho Choi
International Journal of Molecular Sciences 2021, 22 (8) , 4276.

50.
Relief of excited-state antiaromaticity enables the smallest red emitter

Heechan Kim, Woojin Park, Younghun Kim, Michael Filatov, Cheol Ho Choi, Dongwhan Lee
Nature Communications 2021, 12 , 5409.

49.
Recent advances in ensemble density functional theory and linear response theory for strong correlation

Seunghoon Lee, Woojin Park, Hiroya Nakata, Michael Filatov, Cheol Ho Choi
Bulletin of the Korean Chemical Society 2021, 43 (1), 17-34.

48.
Real-time Observation of Structural Dynamics Triggering Excimer Formation in a Perylene Bisimide Folda-dimer by Ultrafast Time-domain Raman Spectroscopy

Yongseok Hong, Woojae Kim, Taeyeon Kim, Christina Kaufmann, Hyungjun Kim, Frank Würthner, Dongho Kim
Angewandte Chemie International Edition 2021, 61 (13), e202202688

47.
Intramolecular Charge Transfer of 1-Aminoanthraquinone and Ultrafast Solvation Dynamics of Dimethylsulfoxide

Kooknam Jeon, Myungsam Jen, Sebok Lee, Taehyung Jang, Yoonsoo Pang
International Journal of Molecular Sciences  2021, 22 (21), 11926.

46.
Quantum mechanical/molecular mechanical approach for the simulation of UV-Vis absorption spectra of pi-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.

45.
Optimization of Three State Conical Intersections by Adaptive Penalty Function Algorithm in Connection with the Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory Method (MRSF-TDDFT).

Yong Su Baek, Seunghoon Lee, Michael Filatov, Cheol Ho Choi
The Journal of Physical Chemistry A  2021, 125 (9), 1994-2006.

44.
Mode-Specific Vibrational Analysis of Exciton Delocalization and Structural Dynamics in Conjugated Oligomers

Woojae Kim, Shinya Tahara, Hikaru Kuramochi, Satoshi Takeuchi, Taeyeon Kim, Tahei Tahara, Dongho Kim
Angewandte Chemie International Edition 2021, 60 (31), 16999-17008.

43.
Modeling Electron-Transfer Degradation of Organic Light-Emitting Devices

Yu Kyung Moon, Ho Jin Jang, Sanj Hwang, Seongsoo Kang, Sinheui Kim, Juwon Oh, Sangheon Lee, Dongho Kim, Jun Yeob Lee, Youngmin you
Advanced Materials 2021, 33 (12), 2003832.

42.
Metal-Enhanced Fluorescence of Dyes with Quadrupole Surface Plasmon Resonance of Silver Nanoparticles

Daedu Lee, Junghyun Song, Gyounghyun Song, Yoonsoo Pang
Nanoscale Advances 2022, 4 (13), 2794-2805.

41.
meso-Oxoisocorroles: Tunable Antiaromaticity by Metalation and Coordination of Lewis Acids as Well as Aromaticity Reversal in the Triplet Excited State

Kento Ueta, Jinseok Kim, Shota Ooi, Juwon Oh, Juhyang Shin, Akito Nakai, Manho Lim, Takayuki Tanaka, Dongho Kim, Atsuhiro Osuka
Journal of the American Chemical Society 2021, 143 (21), 7958-7967.

40.
Mechanism of Cyanine5 to Cyanine3 Photoconversion and Its Application for High-Density Single-Particle Tracking in a Living Cell

Yoonjung Cho, Hyeong Jeon An, Taehoon Kim, Chulbom Lee, Nam Ki Lee
Journal of the American Chemical Society 2021, 143 (35), 14125-14135.

39.
Magnetic Field Induced Modulation of Charge-Recombination Dynamics in a Rosarin-Fullerene Complex

Taeyeon Kim, Juno Kim, Xian-Sheng Ke, James T. Brewster, Juwon Oh, Jonathan L. Sessler, Dongho Kim
Angewandte Chemie International Edition 2021, 60 (17), 9379-9383.

38.
Investigation for Thermoelectric Properties of the MoS2 Monolayer- Graphene Heterostructure: Density Functional Theory Calculations and Electrical Transport Measurements

Sujee Kim, Changhoo  Lee, Young Soo Lim, Ji-Hoon Shim
ACS Omega 2020, 6 (1), 278-283.

37.
Intramolecular Charge Transfer of Curcumin and Solvation Dynamics of DMSO Probed by Time-Resolved Raman Spectroscopy

Myungsam Jen, Sebok Lee, Gisang Lee, Daedu Lee,  Yoonsoo Pang
International Journal of Molecular Sciences 2022, 23 (3), 2003832.

36.
Intramolecular charge transfer of coumarin dyes confined in methanol-in-oil reverse micelles

Ammara Shabbir,  Taehyung Jang, Gisang Lee, Yoonsoo Pang
Journal of Molecualr Liquids 2022, 346, 118313.

36.
Intramolecular charge transfer of coumarin dyes confined in methanol-in-oil reverse micelles

Ammara Shabbir,  Taehyung Jang, Gisang Lee, Yoonsoo Pang
Journal of Molecualr Liquids 2022, 346, 118313.

35.
Intramolecular charge transfer of a push-pull chromophore with restricted internal rotation of electron donor

Sebok Lee, Myungsam Jen, Gisang Lee, Taehyung Jang, Yoonsoo Pang
Physical Chemistry Chemical Physics 2022, 24 (10), 5794-5802.

34.
Internal Conversion between Bright (11Bu+) and Dark (21Ag–) States in s-trans-Butadiene and s-trans-Hexatriene

Woojin Park, Jun Shen, Seunghoon Lee, Piotr Piecuch, Michael Filatov, Cheol Ho Choi
The Journal of Physical Chemistry Letters 2021, 12 (39), 9720-9729.

33.
Indium phosphide magic-sized clusters: chemistry and applications

Yongju Kwon, Sunghee Kim
NPG Asia Materials 2021, 13, 37.

32.
Impact of the Dynamic Electron Correlation on the Unusually Long Excited-State Lifetime of Thymine

Woojin Park, Seunghoo Lee, Miquel Huix-Rotllant, Michael Filatov, Cheol Ho Choi
The Journal of Physical Chemistry Letters 2021, 12 (18), 4339-4346.

31.
Impact of Cyclic Strain on the Structural Relaxation Dynamics of Macrocyclic Thiophenes

Juwon Oh, Hyeyoung Joung, Woojae Kim, Jaesung Yang, Dongho Kim
The Journal of Physical Chemistry C 2021, 125 (3), 1947-1953.

30.
Fast and Accurate Computation of Nonadiabatic Coupling Matrix Elements Using the Truncated Leibniz Formula and Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory

Seunghoon Lee, Yevhen Horbatenko,  Michael Filatov, Cheol ho Choi
The Journal of Physical Chemistry Letters 2021, 12 (19), 4722-4728.

29.
Exploring Dyson`s Orbitals and Their Electron Binding Energies for Conceptualizing Excited States from Response Methodology

Vladimir Pomogaev, Seunghoon Lee, Sason Shaik, Michael Filatov, Cheol ho Choi
The Journal of Physical Chemistry Letters 2021, 12 (40), 9963-9972.

28.
Excited-state proton transfer dynamics of a photoacid HPTS confined in reverse micelles

Taehyung Jang, Sebok Lee, and Yoonsoo Pang
Frontiers in Optics + Laser Science,  2022, JW5A. 86

27.
Enhancement and maximum in the isobaric specific-heat capacity measurements of deeply supercooled water using ultrafast calorimetry

Harshad Pathak, Alexander Späh, Niloofar Esmaeildoost, Jonas A. Sellberg, Kyung Hwan Kim, Fivos Perakis, Katrin Amann-Winkel, Marjorie Ladd-Parada, Jayanath Koliyadu, Thomas J. Lane, Cheolhee Yang, Henrik Till Lemke, Alexander Roland Oggenfuss, Philip J. M. Johnson, Yunpei Deng, Serhane Zerdane, Roman Mankowsky, Paul Beaud, Anders Nilsson
The Journal of Chemical Physics 2021, 155, 214501.

26.
Dual Emission of a Free-Base 5-Oxaporphyrinium Cation from its cis- and trans-NH Tautomers

Asahi Takiguchi, Seongsoo Kang, Norihito Fukui, Dongho Kim, Hiroshi Shinokubo
Angewandte Chemie International Edition 2021, 60 (6), 2915-2919.

25.
Drastic change of magnetic anisotropy in Fe3GeTe2 and Fe4GeTe2 monolayers under electric field studied by density functional theory

Dongwook kim, changhoon Lee, Bo Gyu Jang, Kyoo Kim, Ji Hoon Shim
Scientific Reports 2021, 11, 17567.

24.
Direct observation of protein structural transitions through entire amyloid aggregation processes in water using 2D-IR spectroscopy

So Yeon Chun, Myung Kook Son, Chae Ri Park, Chaiho Lim, Hugh I. Kim, Kyungwon Kwak, Minhaeng Cho
Chemical Science 2021, 13 (16), 4482-4489.

23.
Direct observation of kink evolution due to Hund’s coupling on approach to metal-insulator transition in NiS₂₋ₓSeₓ

Bo Gyu Jang, Garam Han, Ina Park, Dongwook Kim, Yoon Young Koh, Yeongkwan Kim, Wonshik Kyung, Hyeong-Do Kim, Cheng-Maw Cheng, Ku-Ding Tsuei, Kyung Dong Lee, Namjung Hur, Ji Hoon Shim, Changyoung Kim, Gabriel Kotliar
Nature Communications 2021, 12, 1208.

22.
Description of Sudden Polarization in the Excited Electronic States with an Ensemble Density Functional Theory Method

Michael Fillatov, Seunghoon Lee, Cheoul Ho Choi
Journal of Chemical Theory and Computation 2021, 17 (8), 5123-5139.

21.
Curvature-dependent effect of cytosine methylation on the bendability of double-stranded DNA

Sanghun Yeou, Jihee Hwang, Jaehun Yi, Cheolhee Kim, Seong Keun Kim, Nam Ki Lee
Chemical Science 2021, 13 (25), 7516.

20.
Cooperative inhibition of SNARE-mediated vesicle fusion by alpha-synuclein monomers and oligomers

Gyeongji yoo, Sanghun Yeou, Jung Bae Son, Yeon-Kyun Shin, Nam Ki Lee
Scientific Reports 2021, 11, 10955.

19.
Cooperation between Excitation Energy Transfer and Antisynchronously Coupled Vibrations

Taeyong Ha;Gyuhyun Bang;Yongju Kwon;Sungjee Kim;Sanghwa Jeong
The Journal of Physical Chemistry B 2021, 125 (21), 5601-5610.

18.
Controlled Sulfurization of Ag Nanorod into Ag-Ag2S Hetero-Nanorod

Taeyong Ha;Gyuhyun Bang;Yongju Kwon;Sungjee Kim;Sanghwa Jeong
Bulletin of the Korean Chemical Society 2021, 42 (7), 1024-1027.

17.
Computational elucidations on the role of vibrations in energy transfer processes of photosynthetic complexes

Kwang Hyun Cho, Young Min Rhee
Physical Chemistry Chemical Physics 2021, 23 (47), 26623.

16.
Composite silver nanosurfaces of dipole and quadrupole surface plasmon resonances for fluorescence enhancements

Lee Daedu, Song Gyounghyun, Pang Yoonsoo
Bulletin of the Korean Chemical Society 2021, 43 (1), 35-39.

15.
Coherent internal conversion from high lying electronic states to S-1 in boron-dipyrromethene derivatives

Koki Kise, Yu Jin Lee, Takayuki Tanaka, Dongho Kim, Atsuhiro Osuka
European Journal of Inorganic Chemistry 2021, 32, 3272-3276.

14.
Axially- and Meso-Substituted Aza-Crown-Ether-Incorporated BIII Subporphyrins: Control of Electron-Donating Ability by Metal Ion Chelation

Changmin Lee, Kiho Seo, Munnyon Kim, Taiha Joo
Physical Chemistry Chemical Physics 2021, 23, 25200-25209.

13.
Anomalous temperature dependence of the experimental x-ray structure factor of supercooled water

Niloofar Esmaeildoost, Harshad Pathak, Alexander Späh, Thomas J. Lane, Kyung Hwan Kim, Cheolhee Yang, Katrin Amann-Winkel, Marjorie Ladd-Parada, Fivos Perakis, Jayanath Koliyadu, Alexander R. Oggenfuss, Philip J. M. Johnson, Yunpei Deng, Serhane Zerdane; Roman Mankowsky; Paul Beaud  ; Henrik T. Lemke  ; Anders Nilsson; Jonas A. Sellberg
Journal of Chemical Physics 2021, 155, 044106.

12.
Analytical gradients for core-excited states in the algebraic diagrammatic construction (ADC) framework

Brumboiu, Iulia-Emilia, Rehn Dirk, Dreuw Andreas, Rhee Young Min, Norman Patrick
Journal of Chemical Physics 2021, 155, 044106.

11.
An Electron-Accepting aza-BODIPY-Based Donor–Acceptor–Donor Architecture for Bright NIR Emission

Yuto Kage, Seongsoo Kang, Shigeki Mori, Masashi Mamada, Chihaya Adachi, Dongho Kim, Hiroyuki Furuta, Soji Shimizu
Chemistry-A European Journal 2021, 27 (16), 5259-5267.

10.
Accelerated crystal structure prediction of multi-elements random alloy using expandable features

Taewon Jin, Ina Park, Taesu Park, Jaesik Park, Ji Hoon Shim
Scientific Reports 2021, 11, 5194.

9.
A Light-Harvesting/Charge-Separation Model with Energy Gradient Made of Assemblies of meta-Pyridyl Zinc Porphyrins

Joe Otsuki,  Takumi Okumura,  Kosuke Sugawa,  Shin-ichiro Kawano,  Kentaro Tanaka,  Takehiro Hirao,  Takeharu Haino,  Yu Jin Lee,  Seongsoo Kang,  Dongho Kim                                                                                                  

Chemistry–A European Journal , 2020, 27 (12), 4053.

8.
A General Guide for Adsorption of Cadmium Sulfide (CdS) Quantum Dots by Successive Ionic Layer Adsorption and Reaction (SILAR) for Efficient CdS-Sensitized Photoelectrochemical Cells

Seul-Yi Lee, Ji-Young Oh, Ruturaj Patil, Myoung Kim, Jum Suk Jang, Ho Jin, Sungjee Kim                                           Applied Surface Science 2022, 589, 152898.

7.
Two-oscillator mapping modification of the Poisson bracket mapping equation formulation of the quantum–classical Liouville equation

Hyun Woo Kim, Young Min Rhee
The Journal of Chemical Physics 2020, 153 (21), 214103.

6.
Twisted Intramolecular Charge Transfer State of a “Push-Pull” Emitter

Sebok Lee, Myungsam Jen, Yoonsoo Pang
International Journal of Molecular Sciences 2020, 21 (21), 7999.

5.
Tetrameric and Hexameric Porphyrin Nanorings: Template Synthesis and Photophysical Properties

Chihiro Maeda, Shoki Toyama, Naoki Okada, Kazuto Takaishi, Seongsoo Kang, Dongho Kim, Tadashi Ema
Journal of the American Chemical Society 2020, 142 (37), 15661-15666.

4.
Second-Harmonic Young’s Interference in Atom-Thin Heterocrystals

Wontaek Kim, Je Yhoung Ahn, Juseung Oh, Ji Hoon Shim, Sunmin Ryu
Nano Letters 2020, 20 (12), 8825-8831.

3.
Role of coherent nuclear motion in the ultrafast intersystem crossing of ruthenium complexes

Junwoo Kim, Dong-gu Kang, Sang Kyu Kim, Taiha Joo
Physical Chemistry Chemical Physics 2020, 22 (44), 25811-25818.

2.
Excited state Proton Transfer of Quinone Cyanine 9: Implications on the Origin of Super-Photoacidity

Changmin Lee, Seyoung Chung, Hayoung Song, Young Min Rhee, Eunsung Lee, Taiha Joo
ChemPhotoChem 2021, 5 (3), 245-252.