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5 results in Keywords: diradicals

Organic Chemistry

An All-Organic Photochemical Magnetic Switch with Bistable Spin States

Konstantin Günther, Niklas Grabicki, Beatrice Battistella, Lutz Grubert, Oliver Dumele

Version 1 posted 01 March 2022

781

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1

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Theoretical and Computational Chemistry

Equation-of-Motion Coupled-Cluster Method with Double Electron-Attaching Operators: Theory, Implementation, and Benchmarks

Sahil Gulania, Eirik Fadum Kjønstad, John F. Stanton, Henrik Koch, Anna Krylov

Version 2 posted 28 December 2020

506

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Theoretical and Computational Chemistry

Theory, implementation, and disappointing results for two-photon absorption cross sections within the doubly electron-attached equation-of-motion coupled-cluster framework

Kaushik Nanda, Sahil Gulania, Anna Krylov

Version 1 posted 16 November 2022

154

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Organic Chemistry

Topology-Directed Synthesis of Helical Phosphoniums with High Diradical Character and Polar-Dependent Electron Transfer

Bo Yang, Suqiong Yan, Shirong Ban, Yuan Zhang, Hui Ma, Wei Huang

Version 1 posted 07 June 2024

210

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Organic Chemistry

Unveiling the mysterious hydrocarbon – Clar’s goblet

Tianyu Jiao, Cong-Hui Wu, Yu-Shuang Zhang, Xiaohe Miao, Shaofei Wu, Shang-Da Jiang, Jishan Wu

Version 1 posted 19 September 2024

674

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