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A mechanistic continuum of nucleophilic aromatic substitution reactions with azole nucleophiles
Toll, Harrison W., Zhang, Xiaoyi, Gao, Tong, Dal Poggetto, Guilherme, Reibarkh, Mikhail, Lee, Joshua J., Yang, Katherine J., Kwan, Eugene E., Turek, Amanda K.
Published in Chemical science (Cambridge) (04.06.2025)
Published in Chemical science (Cambridge) (04.06.2025)
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Iron-doped nickel–cobalt bimetallic phosphide nanowire hybrids for solid-state supercapacitors with excellent electromagnetic interference shielding
Du, Changlong, Wan, Gengping, Wu, Lihong, Shi, Shaohua, Zhang, Yan, Deng, Zhen, Zhang, Ying, Wei, Qiyi, Li, Lianrui, Wang, Guizhen
Published in Journal of colloid and interface science (15.01.2024)
Published in Journal of colloid and interface science (15.01.2024)
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Correlation Between Reactivity and Oxidation State of Cobalt Oxide Catalysts for CO Preferential Oxidation
Zhong, Liping, Kropp, Thomas, Baaziz, Walid, Ersen, Ovidiu, Teschner, Detre, Schlögl, Robert, Mavrikakis, Manos, Zafeiratos, Spyridon
Published in ACS catalysis (06.09.2019)
Published in ACS catalysis (06.09.2019)
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Hydrogen evolution reaction in the hBNC/Janus MoSSe heterojunction: First-principles calculations
Tian, Lei, He, Chengyu, Peng, Min, Li, Xianrui
Published in International journal of hydrogen energy (22.03.2024)
Published in International journal of hydrogen energy (22.03.2024)
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N-doped porous carbon-anchored zinc single-atom as an efficient and robust heterogeneous catalyst for glycerol carbonylation with urea
Shi, Jinghui, Cui, Yunzuo, Sun, Hao, Wang, He, Liu, Chunling, Xue, Xiangxin, Li, Chuanbi, Geng, Longlong, Liu, Jingyao, Jia, Mingjun
Published in Chemical engineering journal (Lausanne, Switzerland : 1996) (15.06.2023)
Published in Chemical engineering journal (Lausanne, Switzerland : 1996) (15.06.2023)
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A Computationally Assisted Approach for Designing Wearable Biosensors toward Non‐Invasive Personalized Molecular Analysis
Mukasa, Daniel, Wang, Minqiang, Min, Jihong, Yang, Yiran, Solomon, Samuel A., Han, Hong, Ye, Cui, Gao, Wei
Published in Advanced materials (Weinheim) (01.09.2023)
Published in Advanced materials (Weinheim) (01.09.2023)
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Toward Fully Controllable Monomers Sequence: Binary Organocatalyzed Polymerization from Epoxide/Aziridine/Cyclic Anhydride Monomer Mixture
Gao, Tianle, Xia, Xiaochao, Watanabe, Tomohisa, Ke, Chun-Yao, Suzuki, Ryota, Yamamoto, Takuya, Li, Feng, Isono, Takuya, Satoh, Toshifumi
Published in Journal of the American Chemical Society (11.09.2024)
Published in Journal of the American Chemical Society (11.09.2024)
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Structural, electronic, and magnetic properties of Fe^sub x^Co^sub y^Pd^sub z^ (x + y + z [less than or equal to] 7) clusters: a density functional theory study
Varas, Alejandro, Aguilera-granja, F, Rogan, José, Kiwi, Miguel
Published in Journal of nanoparticle research : an interdisciplinary forum for nanoscale science and technology (01.08.2016)
Published in Journal of nanoparticle research : an interdisciplinary forum for nanoscale science and technology (01.08.2016)
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Precise Strain Tuning Boosts Electrocatalytic Hydrogen Generation
Guo, Hongyu, Li, Lu, Chen, Yan, Zhang, Wenshu, Shang, Changshuai, Cao, Xiaoqing, Li, Menggang, Zhang, Qinghua, Tan, Hao, Nie, Yan, Gu, Lin, Guo, Shaojun
Published in Advanced materials (Weinheim) (01.08.2023)
Published in Advanced materials (Weinheim) (01.08.2023)
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Atmospheric chemistry of CF3C CH: Kinetics, products, mechanism of gas-phase reaction with OH radicals, and atmospheric implications-an effort for novel ‘class’ of refrigerant
Zhang, Tongyun, Zhang, Chengping, Ma, Xiaoxun, Quan, Hengdao
Published in Atmospheric environment (1994) (01.02.2023)
Published in Atmospheric environment (1994) (01.02.2023)
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Nonequilibrium Solvent Polarization Effects in Real-Time Electronic Dynamics of Solute Molecules Subject to Time-Dependent Electric Fields: A New Feature of the Polarizable Continuum Model
Gil, Gabriel, Pipolo, Silvio, Delgado, Alain, Rozzi, Carlo Andrea, Corni, Stefano
Published in Journal of chemical theory and computation (09.04.2019)
Published in Journal of chemical theory and computation (09.04.2019)
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Silk Flexible Electronics: From Bombyx mori Silk Ag Nanoclusters Hybrid Materials to Mesoscopic Memristors and Synaptic Emulators
Shi, Chenyang, Wang, Jingjuan, Sushko, Maria L., Qiu, Wu, Yan, Xiaobing, Liu, Xiang Yang
Published in Advanced functional materials (01.10.2019)
Published in Advanced functional materials (01.10.2019)
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Probing the structural and electronic properties of neutral and anionic strontium-doped magnesium clusters
Li, Qing Yang, Xi, Song Guo, Hu, Yan Fei, Yuan, Yu Quan, Zhao, Ya Ru, Li, Meng Chun, Yuan, Jun Jie, Yang, Yu Jie
Published in Computational materials science (01.09.2021)
Published in Computational materials science (01.09.2021)
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General framework for E(3)-equivariant neural network representation of density functional theory Hamiltonian
Xiaoxun Gong, He Li, Nianlong Zou, Runzhang Xu, Wenhui Duan, Yong Xu
Published in Nature Communications (18.05.2023)
Published in Nature Communications (18.05.2023)
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