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Journal of Molecular Modeling|May 7, 2011
Interactions between Al₁₂X (X = Al, C, N and P) nanoparticles and DNA nucleobases/base pairs: implications for nanotoxicityPeng Jin, Yongsheng Chen, Shengbai B Zhang, et al.The Journal of Chemical Physics|November 18, 2011
Characteristics of Raman spectra for graphene oxide from ab initio simulationsLu Wang, Jijun Zhao, Yi-Yang Sun, et al.The Journal of Chemical Physics|July 5, 2013
Tight-binding description of graphyne and its two-dimensional derivativesJia-Jia Zheng, Xiang Zhao, Shengbai B Zhang, et al.Nanoscale|December 14, 2011
Π-Bond maximization of graphene in hydrogen addition reactionsXingfa Gao, Yuliang Zhao, Bo Liu, et al.The Journal of Physical Chemistry. A|July 18, 2009
Endohedral metalloborofullerenes La2@B80 and Sc3N@B80: a density functional theory predictionPeng Jin, Ce Hao, Zhanxian Gao, et al.Nano Letters|December 12, 2007
Boron-based organometallic nanostructures: hydrogen storage properties and structure stabilityYufeng Zhao, Mark T Lusk, Anne C Dillon, et al.Physical Chemistry Chemical Physics : PCCP|October 26, 2011
Titanium-decorated graphene oxide for carbon monoxide capture and separationLu Wang, Jijun Zhao, Lili Wang, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|May 28, 2009
Ti-substituted boranes as hydrogen storage materials: a computational quest for the ideal combination of stable electronic structure and optimal hydrogen uptakeCheng-Gen Zhang, Renwu Zhang, Zhi-Xiang Wang, et al.Journal of the American Chemical Society|January 21, 2010
Hydrogenation: a simple approach to realize semiconductor-half-metal-metal transition in boron nitride nanoribbonsWei Chen, Yafei Li, Guangtao Yu, et al.Physical Chemistry Chemical Physics : PCCP|October 6, 2011
Regioselectivity control of graphene functionalization by ripplesXingfa Gao, Ying Wang, Xin Liu, et al.Pageof 2