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From real seawater to sustainable energy via supported green electrocatalysts: Progress, hurdles, and future directions
作者Davide Barreca; Chiara Maccato
作者单位1. CNR-ICMATE and INSTM, Department of Chemical Sciences, Padova University 1 , 35131 Padova,; 2. Department of Chemical Sciences, Padova University and INSTM 2 , 35131 Padova,
Ab initio -based modeling of plasticity and related phenomena
作者Methawee Nukunudompanich; Ye min Thant; Htet Arkar Kyaw; Manabu Ihara; Sergei Manzhos
作者单位1. Department of Industrial Engineering, School of Engineering, King Mongkut's Institute of Technology Ladkrabang (KMITL) 1 , 1 Chalong Krung, 1 Alley, Lat Krabang, Bangkok 10520,; 2. School of Materials and Chemical Technology, Institute of Science Tokyo 2 , Ookayama 2-12-1, Meguro-ku, Tokyo 152-8552,
Emerging chemistry of organoarsenic-ligated functional metal complexes
作者Kazuma Kikuchi; Kensuke Naka; Hiroaki Imoto
作者单位1. Faculty of Molecular Chemistry and Engineering, Kyoto Institute of Technology 1 , Goshokaido-cho, Matsugasaki, Sakyo-ku, Kyoto 606-0962,; 2. Materials Innovation Lab, Kyoto Institute of Technology 2 , Goshokaido-cho, Matsugasaki, Sakyo-ku, Kyoto 606-0962,; 3. Fusion Oriented REsearch for disruptive Science and Technology (FOREST), Japan Science and Technology Agency (JST) 3 , Honcho 4-1-8, Kawaguchi, Saitama 332-0012,
Exact factorization of a many-body wavefunction beyond the electron–nuclear problem
作者Peter Schürger; Sara Giarrusso; Federica Agostini
作者单位1. Max-Planck-Institut für Physik komplexer Systeme 1 , Nöthnitzer Str. 38, 01187 Dresden,; 2. Department of Mathematics and Computer Science & Institute for Complex Molecular Systems, Eindhoven University of Technology 2 , P. O. Box 513 5600 MB, Eindhoven,; 3. Sorbonne Université, CNRS, LCT UMR 7616 3 , Paris 75005,
Deep learning of committor and explainable artificial intelligence analysis for identifying reaction coordinates
作者Toshifumi Mori; Kei-ichi Okazaki; Kang Kim; Nobuyuki Matubayasi
作者单位1. Department of Molecular Engineering, Graduate School of Engineering, Kyoto University 1 , Kyoto 615-8510,; 2. Institute for Materials Chemistry and Engineering, Kyushu University 2 , Kasuga, Fukuoka 816-8580,; 3. Interdisciplinary Graduate School of Engineering Sciences, Kyushu University 3 , Kasuga, Fukuoka 816-8580,; 4. Research Center for Computational Science, Institute for Molecular Science 4 , Okazaki, Aichi 444-8585,; 5. Graduate Institute for Advanced Studies, SOKENDAI 5 , Okazaki, Aichi 444-8585,; 6. Division of Chemical Engineering, Department of Materials Engineering Science, Graduate School of Engineering Science, The University of Osaka 6 , Toyonaka, Osaka 560-8531,
Microscopic view of materials properties of liquids: An atomic scale perspective
作者Jaeyun Moon
作者单位1. Department of Mechanical and Aerospace Engineering, University of Florida , Gainesville, Florida 32611, and , Gainesville, Florida 32611,; 2. Department of Materials Science and Engineering, University of Florida , Gainesville, Florida 32611, and , Gainesville, Florida 32611,
Non-precious metal catalysts for electrocatalytic reduction of nitrate to ammonia
作者Syed Taj Ud Din; Xinhong Chen; Leyun Qi; Sisi He; Jia Zhou
作者单位1. Shenzhen Key Laboratory of Flexible Printed Electronics Technology, School of Science, Harbin Institute of Technology (Shenzhen), University Town 1 , Shenzhen, Guangdong 518055,; 2. State Key Laboratory of Urban-rural Water Resource and Environment, School of Science, Harbin Institute of Technology (Shenzhen), University Town 2 , Shenzhen, Guangdong 518055,; 3. College of Chemistry and Environmental Engineering, Yangtze University 3 , Jingzhou, Hubei, 434023,
Optical optimization considerations of a potential cell system for upscaled photoelectrochemical reactors
作者E. Le Baron; E. Bérut; A. Disdier; F. Vidal; A. Ó. Manacháin
作者单位1. Université Grenoble-Alpes, CEA, Liten, DTCH 1 , 38000 Grenoble,; 2. Departments of the Tyndall National Institute, the School of Chemistry and the Sustainability Institute, College of SEFS, University College Cork 2 , College Road, Cork, County Cork T12 K8AF,
Toward on-the-fly prediction of reaction energetics for high-throughput screening
作者Jasper De Landsheere; Maximilian P.-P. Kovar; Konstantin Mark; Leon Ganser; Leonard Galustian; Johannes Karwounopoulos; Charlotte Gerhaher; Esther Heid
作者单位1. Institute of Materials Chemistry, TU Wien , A-1060 Vienna,
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