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Journal of Computational Chemistry|October 17, 2025
Interrelationships Between Structural, Mechanical, and Electronic Properties in g-C<sub>3</sub>N<sub>4</sub> NanotubesElise Y Li, Chi-You LiuACS Applied Materials & Interfaces|December 13, 2018
Termination Effects of Pt/v-Ti <sub>n+1</sub>C <sub>n</sub>T<sub>2</sub> MXene Surfaces for Oxygen Reduction Reaction CatalysisChi-You Liu, Elise Y LiJournal of the American Chemical Society|August 2, 2018
Cation-Directed Selective Polysulfide Stabilization in Alkali Metal-Sulfur BatteriesQingli Zou, Zhuojian Liang, Guan-Ying Du, et al.Journal of Chemical Theory and Computation|November 20, 2015
A Natural Helical Crystal Lattice Model for Carbon NanotubesElise Y Li, Nicola MarzariACS Nano|November 9, 2011
Improving the electrical conductivity of carbon nanotube networks: a first-principles studyElise Y Li, Nicola MarzariRSC Advances|May 6, 2022
Molecular design principles towards <i>exo</i>-exclusive Diels-Alder reactionsCi-Jhang Huang, Elise Y LiACS Nano|May 20, 2011
Switchable conductance in functionalized carbon nanotubes via reversible sidewall bond cleavageElise Y Li, Nicolas Poilvert, Nicola MarzariPhysical Chemistry Chemical Physics : PCCP|February 20, 2020
Effective methane conversion to methanol on bi-functional graphene-oxide-supported platinum nanoclusters (Pt<sub>5</sub>) - a DFT studyChun-Chih Chang, Chi-You Liu, Ying-Chieh SunNano Letters|October 17, 2013
Single-molecule electric revolving doorLiang-Yan Hsu, Elise Y Li, Herschel RabitzPhysical Chemistry Chemical Physics : PCCP|April 15, 2020
A computational exploration of the 1D TiS<sub>2</sub>(en) nanostructure for lithium ion batteriesChun-Hao Huang, Chun-Chih Chang, Elise Y LiPageof 3