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5 results in Keywords: Theoretical Calculations

Materials Science

Boosting Fast and Stable Potassium-ion Storage by Synergistic Interlayer and Pore-structure Engineering

Deping Li, Qing Sun, Yamin Zhang, Xinyue Dai, Fengjun Ji, kaikai Li, Qunhui Yuan, Xingjun Liu, Lijie Ci

Version 1 posted 01 June 2020

503

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Materials Science

Theoretical Calculation of Self-Propagating High-Temperature Synthesis (SHS) Preparation of AlB12

Chao Wang, Xiaoming Cao, Mengge Dong, Lu Zhang, Jianxing Liu, Xiaozhou Cao, Xiangxin Xue

Version 1 posted 19 January 2021

296

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Organic Chemistry

On the mechanism of the peroxide epoxidation of olefins: A bond interaction perspective

Yuji Naruse, Takuya Kosugi

Version 1 posted 13 July 2023

186

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Organic Chemistry

Porphyrin-decorated bistable rotaxanes: Molecular folding governs switchable singlet oxygen photoproduction

Jan Riebe, Benedikt Bädorf, Sarah Löffelsender, Matias Ezequiel Gutierrez Suburu, María Belén Rivas Aiello, Cristian Alejandro Strassert, Stefan Grimme, Jochen Niemeyer

Version 1 posted 19 March 2024

385

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Inorganic Chemistry

Heterometallic CuCd and Cu2Zn complexes with o-vanillin and its Schiff base derivative: slow magnetic relaxation and catalytic activity associated with Cu(II) centers

Olga Vassilyeva, Oksana Nesterova, Alina Bieńko, Urszula Komarnicka, Elena Buvaylo, Svitlana Vasylieva, Brian Skelton, Dmytro Nesterov

Version 1 posted 09 December 2024

63

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