KS-pies: Kohn-Sham inversion toolkit
Nam, Seungsoo, McCarty, Ryan J, Park, Hansol, Sim, Eunji
Published in The Journal of chemical physics (28.03.2021)
Published in The Journal of chemical physics (28.03.2021)
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Journal Article
Explaining and Fixing DFT Failures for Torsional Barriers
Nam, Seungsoo, Cho, Eunbyol, Sim, Eunji, Burke, Kieron
Published in The journal of physical chemistry letters (25.03.2021)
Published in The journal of physical chemistry letters (25.03.2021)
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Journal Article
Composition‐Dependent Hot Carrier Relaxation Dynamics in Cesium Lead Halide (CsPbX3, X=Br and I) Perovskite Nanocrystals
Chung, Heejae, Jung, Seok Il, Kim, Hyo Jin, Cha, Wonhee, Sim, Eunji, Kim, Dongho, Koh, Weon‐Kyu, Kim, Jiwon
Published in Angewandte Chemie International Edition (03.04.2017)
Published in Angewandte Chemie International Edition (03.04.2017)
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Journal Article
Extending density functional theory with near chemical accuracy beyond pure water
Song, Suhwan, Vuckovic, Stefan, Kim, Youngsam, Yu, Hayoung, Sim, Eunji, Burke, Kieron
Published in Nature communications (13.02.2023)
Published in Nature communications (13.02.2023)
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Journal Article
Benchmarks and Reliable DFT Results for Spin Gaps of Small Ligand Fe(II) Complexes
Song, Suhwan, Kim, Min-Cheol, Sim, Eunji, Benali, Anouar, Heinonen, Olle, Burke, Kieron
Published in Journal of chemical theory and computation (08.05.2018)
Published in Journal of chemical theory and computation (08.05.2018)
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Journal Article
Ion Specificity on Electric Energy Generated by Flowing Water Droplets
Park, Junwoo, Song, Suhwan, Shin, ChaeHo, Yang, YoungJun, Weber, Stefan A. L., Sim, Eunji, Kim, Youn Sang
Published in Angewandte Chemie International Edition (19.02.2018)
Published in Angewandte Chemie International Edition (19.02.2018)
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Journal Article
Bending behavior of the cysteinyl bolaamphiphile nanobelt assembly induced by the anisotropic disulfide bond formation
Lee, Chaemyeong, Kim, Yeil, Kim, Minji, Yoo, Hyeri, Sim, Eunji, Lee, Sang-Yup
Published in Journal of industrial and engineering chemistry (Seoul, Korea) (25.11.2023)
Published in Journal of industrial and engineering chemistry (Seoul, Korea) (25.11.2023)
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Journal Article
Soft‐wall ion transfer channel accurately predicts sterically hindered ion channel permeability
Kim, Youngsam, Song, Suhwan, Kim, Min‐Cheol, Sim, Eunji
Published in Bulletin of the Korean Chemical Society (01.04.2022)
Published in Bulletin of the Korean Chemical Society (01.04.2022)
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Journal Article
Excited-State Dynamic Planarization of Cyclic Oligothiophenes in the Vicinity of a Ring-to-Linear Excitonic Behavioral Turning Point
Park, Kyu Hyung, Kim, Pyosang, Kim, Woojae, Shimizu, Hideyuki, Han, Minwoo, Sim, Eunji, Iyoda, Masahiko, Kim, Dongho
Published in Angewandte Chemie (International ed.) (19.10.2015)
Published in Angewandte Chemie (International ed.) (19.10.2015)
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Journal Article
The Role of Linkers in the Excited-State Dynamic Planarization Processes of Macrocyclic Oligothiophene 12-Mers
Kim, Woojae, Sung, Jooyoung, Park, Kyu Hyung, Shimizu, Hideyuki, Imamura, Mika, Han, Minwoo, Sim, Eunji, Iyoda, Masahiko, Kim, Dongho
Published in The journal of physical chemistry letters (05.11.2015)
Published in The journal of physical chemistry letters (05.11.2015)
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Journal Article
Direct observation of structural properties and fluorescent trapping sites in macrocyclic porphyrin arrays at the single-molecule level
Ham, Sujin, Lee, Ji-Eun, Song, Suhwan, Peng, Xiaobin, Hori, Takaaki, Aratani, Naoki, Osuka, Atsuhiro, Sim, Eunji, Kim, Dongho
Published in Physical chemistry chemical physics : PCCP (2016)
Published in Physical chemistry chemical physics : PCCP (2016)
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Journal Article
Biased Helical Folding of Chiral Oligoindole Foldamers
Naidu, Veluru Ramesh, Kim, Min Cheol, Suk, Jae-min, Kim, Ho-Joong, Lee, Myongsoo, Sim, Eunji, Jeong, Kyu-Sung
Published in Organic letters (04.12.2008)
Published in Organic letters (04.12.2008)
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Journal Article