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Yuzhe Zhang

4 results in Authors: Yuzhe Zhang

Theoretical and Computational Chemistry

Assessment of Electron-Proton Correlation Functionals for Vibrational Spectra of Shared-Proton Systems by Constrained Nuclear-Electronic Orbital Density Functional Theory

Yuzhuo Yang, Yuzhe Zhang, Yang Yang, Xi Xu

Version 1 posted 14 October 2024

48

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Theoretical and Computational Chemistry

Vibrational spectra of highly anharmonic water clusters: Molecular dynamics and harmonic analyses revisited with constrained nuclear-electronic orbital methods

Yuzhe Zhang, Yiwen Wang, Xi Xu, Zehua Chen, Yang Yang

Version 3 posted 15 November 2023

522

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Physical Chemistry

Where is the Hidden Intramolecular H-bonding Vibrational Signal in the Proline Matrix IR Spectrum?

James Langford, Yuzhe Zhang, Zehua Chen, Yang Yang

Version 2 posted 04 September 2024

253

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Theoretical and Computational Chemistry

Describing proton transfer modes in shared proton systems with constrained nuclear-electronic orbital methods

Yuzhe Zhang, Xi Xu, Nan Yang, Zehua Chen, Yang Yang

Version 1 posted 14 March 2023

185

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