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Organic Chemistry

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Theoretical and Computational Chemistry

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Working Paper

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Yunwen Tao

2 results in Authors: Yunwen Tao

Organic Chemistry

Peritectic Phase Transition of Benzene and Acetonitrile and Formation of a Cocrystal Relevant to Titan, Saturn’s Icy Moon

Christina McConville, Yunwen Tao, hayden evans, Benjamin A. Trump, Jonathan B Lefton, Wenqian Xu, Andrey Yakovenko, Elfi Kraka, Craig M. Brown, Tomce Runcevski

Version 1 posted 14 July 2020

530

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Theoretical and Computational Chemistry

Constructing Spin-Adiabatic States for the Modeling of Spin-Crossing Reactions I. A Shared-Orbital Implementation

Yunwen Tao, Zheng Pei, Nicole Bellonzi, Yuezhi Mao, zhu zou, Wanzhen Liang, Zhibo Yang, Yihan Shao

Version 2 posted 22 July 2019

983

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