Publications by authors named "Longkun Xu"

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A Multiple-Fidelity Method for Accurate Simulation of MoS Properties Using JAX-ReaxFF and Neural Network Potentials.
Kehan Wang, Longkun Xu, Wei Shao, Haishun Jin, Qiang Wang

J Phys Chem Lett· January 2024

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Experimental Evidence of Long-Lived Electric Fields of Ionic Liquid Bilayers.
Mattia Belotti, Xin Lyu, Longkun Xu, Peter Halat, Nadim Darwish

J Am Chem Soc· October 2021

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The corona of a surface bubble promotes electrochemical reactions.
Yan B Vogel, Cameron W Evans, Mattia Belotti, Longkun Xu, Isabella C Russell

Nat Commun· December 2020

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Ordered Solvents and Ionic Liquids Can Be Harnessed for Electrostatic Catalysis.
Longkun Xu, Ekaterina I Izgorodina, Michelle L Coote

J Am Chem Soc· July 2020

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Correction to Improving the Accuracy of PCM-UAHF and PCM-UAKS Calculations Using Optimized Electrostatic Scaling Factors.
Longkun Xu, Michelle L Coote

J Chem Theory Comput· January 2020

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Improving the Accuracy of PCM-UAHF and PCM-UAKS Calculations Using Optimized Electrostatic Scaling Factors.
Longkun Xu, Michelle L Coote

J Chem Theory Comput· December 2019

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Methods To Improve the Calculations of Solvation Model Density Solvation Free Energies and Associated Aqueous p Values: Comparison between Choosing an Optimal Theoretical Level, Solute Cavity Scaling, and Using Explicit Solvent Molecules.
Longkun Xu, Michelle L Coote

J Phys Chem A· August 2019

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Solvent effects for vertical absorption and emission processes in solution using a self-consistent state specific method based on constrained equilibrium thermodynamics.
Ting-Jun Bi, Long-Kun Xu, Fan Wang, Xiang-Yuan Li

Phys Chem Chem Phys· May 2018

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Solvent effects on excitation energies obtained using the state-specific TD-DFT method with a polarizable continuum model based on constrained equilibrium thermodynamics.
Ting-Jun Bi, Long-Kun Xu, Fan Wang, Mei-Jun Ming, Xiang-Yuan Li

Phys Chem Chem Phys· December 2017

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