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Organometallic Chemistry

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Physical Chemistry

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Theoretical and Computational Chemistry

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Xianghai Sheng

2 results in Authors: Xianghai Sheng

Organometallic Chemistry

Assessing the Calculation of Exchange Coupling Constants and Spin Crossover Gaps Using the Approximate Projection Model to Improve Density Functional Calculations

Xianghai Sheng, Lee Thompson, Hrant Hratchian

Version 4 posted 27 November 2019

807

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Physical Chemistry

Unveiling the Coexistence of Cis and Trans Isomers in the Hydrolysis of ZrO2: A Coupled DFT and High-Resolution Photoelectron Spectroscopy Study

Ali Abou Taka, Mark Babin, Xianghai Sheng, Jessalyn DeVine, Daniel Neumark, Hrant Hratchian

Version 2 posted 04 December 2020

725

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