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Theoretical and Computational Chemistry

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Orbital interactions

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2 results in Keywords: Orbital interactions

Theoretical and Computational Chemistry

Demystifying hydridic hydrogen bonds using energy decomposition analysis

David W. Roberts, Yuezhi Mao

Version 1 posted 17 June 2024

139

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Theoretical and Computational Chemistry

Principal Interacting Spin Orbital: Understanding the Fragment Interactions in Open-Shell Systems

Fu Kit Sheong, Jing-Xuan Zhang, Zhenyang Lin

Version 1 posted 02 January 2020

446

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