The effect of sampling techniques used in the multiconfigurational Ehrenfest method von Symonds, C, Kattirtzi, JA, Shalashilin, DV

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Local Distortions and Dynamics in Hydrated Y‑Doped BaZrO3 von Torayev, Amangeldi, Sperrin, Luke, Gomez, Maria A, Kattirtzi, John A, Merlet, Céline, Grey, Clare P

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Shielding Constants and Chemical Shifts in DFT: Influence of Optimized Effective Potential and Coulomb-Attenuation von Peach, Michael J. G, Kattirtzi, John A, Teale, Andrew M, Tozer, David J

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The hydrogen evolution reaction: from material to interfacial descriptors von Dubouis, Nicolas, Grimaud, Alexis

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Action at a distance: organic cation induced long range organization of interfacial water enhances hydrogen evolution and oxidation kinetics von Zhao, Kaiyue, Yu, Hao, Xiong, Haocheng, Lu, Qi, Gao, Yi Qin, Xu, Bingjun

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Exploring the Cation Regulation Mechanism for Interfacial Water Involved in the Hydrogen Evolution Reaction by In Situ Raman Spectroscopy von You, Xueqiu, Zhang, Dongao, Zhang, Xia-Guang, Li, Xiangyu, Tian, Jing-Hua, Wang, Yao-Hui, Li, Jian-Feng

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How cations affect the electric double layer and the rates and selectivity of electrocatalytic processes von Waegele, Matthias M., Gunathunge, Charuni M., Li, Jingyi, Li, Xiang

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Molecular Simulation of Electrode-Solution Interfaces von Scalfi, Laura, Salanne, Mathieu, Rotenberg, Benjamin

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Sodium Carbonate ion complexes modify water structure at electrode interfaces von Dodin, Amro, Deng, Gang-Hua, Rebstock, Jaclyn A., Zhu, Quansong, Limmer, David T., Baker, L. Robert

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Rate constants in spatially inhomogeneous systems von Schile, Addison J., Limmer, David T.

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Advancing the Electrochemistry of Gas‐Involved Reactions through Theoretical Calculations and Simulations from Microscopic to Macroscopic von He, Yanzheng, Liu, Sisi, Wang, Mengfan, Ji, Haoqing, Zhang, Lifang, Cheng, Qiyang, Qian, Tao, Yan, Chenglin

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Quantum system-bath dynamics with quantum superposition sampling and coupled generalized coherent states von Bramley, Oliver, Symonds, Christopher, Shalashilin, Dmitrii V.

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Full wave function cloning for improving convergence of the multiconfigurational Ehrenfest method: Tests in the zero-temperature spin-boson model regime von Brook, Ryan, Symonds, Christopher, Shalashilin, Dmitrii V.

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Enhanced conductivity of water at the electrified air-water interface: a DFT-MD characterization von Creazzo, Fabrizio, Pezzotti, Simone, Bougueroua, Sana, Serva, Alessandra, Sponer, Jiri, Saija, Franz, Cassone, Giuseppe, Gaigeot, Marie-Pierre

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A unified framework of mixed quantum–classical dynamics with trajectory branching von Li, Guijie, Shao, Cancan, Xu, Jiabo, Wang, Linjun

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Enhanced ClNO2 Formation at the Interface of Sea-Salt Aerosol von Moon, Seokjin, Limmer, David T.

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Helmholtz Capacitance of Aqueous NaCl Solutions at the Au(100) Electrode from Polarizable and Nonpolarizable Molecular Dynamics Simulations von Park, Suehyun, McDaniel, Jesse G.

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Learning intermolecular forces at liquid–vapor interfaces von Niblett, Samuel P., Galib, Mirza, Limmer, David T.

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「サステイナビリティ・トランジション」の観点からみたわが国の初期電気事業制度改革 von 穴山, 悌三

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Towards local tracking of solvated metal ions at solid-liquid interfaces von Trewby, William, Tavakol, Mahdi, Jaques, Ygor Morais, Voïtchovsky, Kislon

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