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6 results in Authors: Fu Kit Sheong

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

495

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Theoretical and Computational Chemistry

Working Paper

Navigating the Electronic Grand Potential Surface with Analytical Nuclear Derivatives of Grand-Canonical Density-Functional Theory

Yichi ZHANG, Ka Lok Chan, Fu Kit Sheong

Version 5 posted 10 April 2025

535

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Theoretical and Computational Chemistry

Working Paper

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

Yichi ZHANG, Fu Kit Sheong, Zhenyang Lin

Version 3 posted 27 June 2024

459

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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

270

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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

232

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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

696

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

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

Navigating the Electronic Grand Potential Surface with Analytical Nuclear Derivatives of Grand-Canonical Density-Functional Theory

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

On the alternating structure of cyclo[18]carbon

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

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

6 results in Authors: Fu Kit Sheong