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3 results in Authors: Yichi Zhang

Theoretical and Computational Chemistry

Natural Fragment Bond Orbital Method for Inter-Fragment Bonding Interaction Analysis

Yichi ZHANG, Fu Kit Sheong, Zhenyang Lin

Version 3 posted 27 June 2024

230

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Theoretical and Computational Chemistry

Single-Point Grand Potential and Nuclear Derivatives of Finite-Temperature Kohn-Sham Density-Functional Theory

Yichi ZHANG, Ka Lok Chan, Fu Kit Sheong

Version 3 posted 24 July 2024

246

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Two-dimensional Bi2SeO2 and Its Native Insulators for Next-Generation Nanoelectronics

Pedram Khakbaz, Dominic Waldhoer, Mina Bahrami, Theresia Knobloch, Mahdi Pourfath, Mohammad Rasool Davoudi, Yichi Zhang, Xiaoyin Gao, Hailin Peng, Michael Waltl, Tibor Grasser

Version 1 posted 08 November 2024

169

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