Jicun Li

发表

The strengths and limitations of effective centroid force models explored by studying isotopic effects in liquid water.

Xin-Zheng Li, Feng Wang, Ying Yuan, 2018, The Journal of chemical physics.

Pairwise-additive force fields for selected aqueous monovalent ions from adaptive force matching.

Feng Wang, Jicun Li, 2015, The Journal of chemical physics.

Accurate Prediction of the Hydration Free Energies of 20 Salts through Adaptive Force Matching and the Proper Comparison with Experimental References.

Feng Wang, Jicun Li, 2017, The journal of physical chemistry. B.

The Effect of Core Correlation on the MP2 Hydration Free Energies of Li(+), Na(+), and K(.).

Feng Wang, Jicun Li, 2016, The journal of physical chemistry. B.

The effects of replacing the water model while decoupling water-water and water-solute interactions on computed properties of simple salts.

Feng Wang, Jicun Li, 2016, The Journal of chemical physics.

Bending the Curve: Molecular Manifestations of Electron Antisymmetry

J. Herzfeld, Jicun Li, Xinrui Song, 2021, ChemistryOpen.

Liquid–liquid transition in supercooled water suggested by microsecond simulations

Feng Wang, Jicun Li, Yaping Li, 2013, Proceedings of the National Academy of Sciences.

Water graphene contact surface investigated by pairwise potentials from force-matching PAW-PBE with dispersion correction.

Feng Wang, Jicun Li, 2017, The Journal of chemical physics.

Ab initio study of the potential energy surface for the OH+CO-->H+CO2 reaction.

Baoshan Wang, Hua Hou, Hua Hou, 2006, The Journal of chemical physics.

A Carbon Is a Carbon Is a Carbon: Orbital-Free Simulations of Hydrocarbon Chemistry without Resort to Atom Types

J. Herzfeld, Jicun Li, Xinrui Song, 2022, Journal of Physical Chemistry A.

Extensive theoretical studies of a new energetic material: Tetrazino‐tetrazine‐tetraoxide (TTTO)

Hua Hou, Baoshan Wang, Xinli Song, 2009, J. Comput. Chem..

Surface Penetration without Enrichment: Simulations Show Ion Surface Propensities Consistent with Both Elevated Surface Tension and Surface Sensitive Spectroscopy.

Feng Wang, Jicun Li, 2019, The journal of physical chemistry. B.

Continuous and Discontinuous Dynamic Crossover in Supercooled Water in Computer Simulations

Feng Wang, Feng Wang, Zhonghua Ma, 2015, The journal of physical chemistry letters.

Accurate Prediction of the Hydration Free Energies of 20 Salts through Adaptive Force Matching and the Proper Comparison with Experimental References.

Feng Wang, Jicun Li, 2017, The journal of physical chemistry. B.