A metal–organic framework modulated to site-isolate Cl˙ pendants via radical inter-conversion for degrading hard-to-ionize aqueous organic wastes von Kim, Minsung, Al Mamunur Rashid, Md, Choe, Yun Jeong, Kim, Sang Hoon, Lee, Jung-Hyun, Jeong, Keunhong, Kim, Jongsik

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Identifying the acidic or basic behavior of surface water: a QM/MM-MD study von Rashid, Md Al Mamunur, Rahman, Mofizur, Acter, Thamina, Uddin, Nizam

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Effect of substituting donors on the hole mobility of hole transporting materials in perovskite solar cells: a DFT study von Rashid, Md Al Mamunur, Min, Sein, Namgoong, Sung Keon, Jeong, Keunhong

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Theoretical Investigation of Azobenzene-Based Photochromic Dyes for Dye-Sensitized Solar Cells von Rashid, Md Al Mamunur, Hayati, Dini, Kwak, Kyungwon, Hong, Jongin

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The solvation dynamics of CO2 by quantum mechanical molecular dynamics von Mamunur Rashid, Md Al, Acter, Thamina, Uddin, Nizam

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Decarboxylation of Hydroxybenzoic Acids to Phenol via Deep Eutectic Solvents von Oh, Da Hae, Rashid, Md Al Mamunur, Yoo, Chun-Jae, Ha, Jeong-Myeong, Koo, Bonwook, Choi, Jungkyu, Jeong, Keunhong, Kim, Kwang Ho

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Excited-state intramolecular proton transfer in 10-hydroxybenzoquinoline, 1-hydroxyanthraquinone, methyl salicylate and 4-methyl-2,6-diformyl phenol: a QM/MM–MD study von Rashid, Md Al Mamunur, Acter, Thamina, Uddin, Nizam

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Theoretical prediction on the hydrolysis rate of the new types of nerve agents: A density functional study von Rashid, Md Al Mamunur, Lee, Byounghwak, Kim, Kwang Ho, Jeong, Keunhong

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Computational Investigation of Tuning the Electron-Donating Ability in Metal-Free Organic Dyes Featuring an Azobenzene Spacer for Dye-Sensitized Solar Cells von Rashid, Md Al Mamunur, Hayati, Dini, Kwak, Kyungwon, Hong, Jongin

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Effects of π‐conjugation on the charge‐transport properties of hole‐transporting materials featuring diphenylamine‐π‐quinacridone for perovskite solar cells: A theoretical study... von Rashid, Md Al Mamunur, Kim, Junkyu, Long, Dang Xuan, Kwak, Kyungwon, Hong, Jongin

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A metal-organic framework modulated to site-isolate Cl&z.rad; pendants radical inter-conversion for degrading hard-to-ionize aqueous organic wastes von Kim, Minsung, Al Mamunur Rashid, Md, Choe, Yun Jeong, Kim, Sang Hoon, Lee, Jung-Hyun, Jeong, Keunhong, Kim, Jongsik

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2D Star‐Shaped Non‐Fullerene Electron Acceptors with Modulation of J‐/H‐Type Aggregations: Molecular Design–Morphology–Electrical Property Correlation von Koh, Chang Woo, Cho, Hye Won, Rashid, Md Al Mamunur, Lee, Tack Ho, Park, Song Yi, Lee, Wonho, Kwak, Kyungwon, Kim, Jin Young, Woo, Han Young

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Enhancing polyethylene terephthalate conversion through efficient microwave-assisted deep eutectic solvent-catalyzed glycolysis von Ha, Geon-Soo, Al Mamunur Rashid, Md, Ha, Jeong-Myeong, Yoo, Chun-Jae, Jeon, Byong-Hun, Jeong, Keunhong, Kim, Kwang Ho

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Li+−Li+ and Na+−Li+ ion pairs in aqueous solution von Rashid, Md Al Mamunur, Acter, Thamina, Uddin, Nizam

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Using Social Psychology to Motivate Contributions to Online Communities von Ling, Kimberly, Beenen, Gerard, Ludford, Pamela, Wang, Xiaoqing, Chang, Klarissa, Li, Xin, Cosley, Dan, Frankowski, Dan, Terveen, Loren, Rashid, Al Mamunur, Resnick, Paul, Kraut, Robert

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New Insights into the Photodegradation Mechanism of the PTB7-Th Film: Photooxidation of π‑Conjugated Backbone upon Sunlight Illumination von Kim, Sangjun, Rashid, Md Al Mamunur, Ko, Taewon, Ahn, Kyusang, Shin, Yukyung, Nah, Sanghee, Kim, Myung Hwa, Kim, BongSoo, Kwak, Kyungwon, Cho, Minhaeng

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Integrating experimental and computational approaches for deep eutectic solvent-catalyzed glycolysis of post-consumer polyethylene terephthalate von Ha, Geon-Soo, Rashid, Md Al Mamunur, Oh, Da Hae, Ha, Jeong-Myeong, Yoo, Chun-Jae, Jeon, Byong-Hun, Koo, Bonwook, Jeong, Keunhong, Kim, Kwang Ho

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Heat of formation prediction by G4MP2-SFM schemes: An application to various nitroazole derivatives von Rashid, Md Al Mamunur, Cho, Soo Gyeong, Choi, Cheol Ho

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Machine Learning Approach for Predicting the Hole Mobility of the Perovskite Solar Cells von Rashid, Md Al Mamunur, Lee, Seul, Kim, Kwang Ho, Kim, Jaeoh, Jeong, Keunhong

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Quantum mechanical/molecular mechanical approach for the simulation of UV–Vis absorption spectra of π-conjugated oligomers von Rashid, Md Al Mamunur, Ahn, Kyusang, Jeon, Jonggu, Cho, Minhaeng, Kim, BongSoo, Lee, Kyung-Koo, Kwak, Kyungwon

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