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6 results in Authors: Fu Kit Sheong

Theoretical and Computational Chemistry

Working Paper

Eliminating Fragment Group Orbital (eFGO) Analysis for Deciphering Chemical Bonding in Complex Systems

Jing-Xuan Zhang, Fu Kit Sheong, Yun-Shu Cui, Jun Li, Zhenyang Lin

Version 1 posted 13 March 2023

128

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Theoretical and Computational Chemistry

Working Paper

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

Yichi ZHANG, Ka Lok Chan, Fu Kit Sheong

Version 2 posted 22 December 2023

122

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Theoretical and Computational Chemistry

Working Paper

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

402

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Theoretical and Computational Chemistry

Working Paper

On the alternating structure of cyclo[18]carbon

Jing-Xuan Zhang, Junjie Yang, Fu Kit Sheong

Version 1 posted 28 March 2022

177

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Theoretical and Computational Chemistry

Working Paper

Microsecond Timescale Simulations at the Transition State of PmHMGR Predict Remote Allosteric Residues

Taylor Quinn, Calvin N. Steussy, Brandon E. Haines, Jinping Lei, Wei Wang, Fu Kit Sheong, Cynthia V. Stauffacher, Xuhui Huang, Per-Ola Norrby, Paul Helquist, Olaf Wiest

Version 1 posted 21 October 2019

626

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Theoretical and Computational Chemistry

Working Paper

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

Yichi ZHANG, Fu Kit Sheong, Zhenyang Lin

Version 1 posted 27 March 2024

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6 results in Fu Kit Sheong in Authors: Fu Kit Sheong

Eliminating Fragment Group Orbital (eFGO) Analysis for Deciphering Chemical Bonding in Complex Systems

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

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

On the alternating structure of cyclo[18]carbon

Microsecond Timescale Simulations at the Transition State of PmHMGR Predict Remote Allosteric Residues

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

6 results in Authors: Fu Kit Sheong