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Journal of Computational Chemistry|April 4, 2007
Quantum correction to the pair distribution functionV A Levashov, S J L Billinge, M F ThorpeJournal of Computational Chemistry|April 4, 2007
Equivalent potential of water molecules for electronic structure of glutamic acidTian Zhang, Haoping Zheng, Shu YanJournal of Computational Chemistry|October 24, 2008
A comparative study of the COX-1 and COX-2 isozymes bound to lipid membranesShunzhou Wan, Peter V CoveneyJournal of Computational Chemistry|October 24, 2008
Probing the free energy landscape of the FBP28WW domain using multiple techniquesXavier Periole, Lucy R Allen, Kamil Tamiola, et al.Journal of Computational Chemistry|October 24, 2008
The nitrogen edge-doped effect on the static first hyperpolarizability of the supershort single-walled carbon nanotubeHong-Liang Xu, Fang-Fang Wang, Zhi-Ru Li, et al.Journal of Computational Chemistry|November 14, 2007
On the applicability of multireference second-order perturbation theory to study weak magnetic coupling in molecular complexesNúria Queralt, David Taratiel, Coen de Graaf, et al.Journal of Computational Chemistry|March 6, 2009
Incorporating structural characteristics for identification of protein methylation sitesDray-Ming Shien, Tzong-Yi Lee, Wen-Chi Chang, et al.Journal of Computational Chemistry|March 6, 2009
Force field for copper clusters and nanoparticlesChenggang Zhou, Jinping Wu, Liang Chen, et al.Journal of Computational Chemistry|March 6, 2009
Amide-pi interactions between formamide and benzeneYumi N Imai, Yoshihisa Inoue, Isao Nakanishi, et al.Journal of Computational Chemistry|March 7, 2009
Reducing the bias and uncertainty of free energy estimates by using regression to fit thermodynamic integration dataConrad Shyu, F Marty YtrebergPageof 598