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Journal of Computational Chemistry|January 27, 2012
GMCT : a Monte Carlo simulation package for macromolecular receptorsR Thomas Ullmann, G Matthias UllmannJournal of Computational Chemistry|January 27, 2012
Mixed Monte Carlo/molecular dynamics simulations in explicit solventAndré A S T Ribeiro, Ricardo B de AlencastroJournal of Computational Chemistry|January 10, 2012
Lennard-Jones parameters for small diameter carbon nanotubes and water for molecular mechanics simulations from van der Waals density functional calculationsM Kaukonen, A Gulans, P Havu, et al.Journal of Computational Chemistry|January 14, 2012
Theoretical investigation on the transportation behavior of molecular wires with redox reactionJinliang Li, Zhenzhen Zhao, Cui Yu, et al.Journal of Computational Chemistry|January 7, 2012
Ab initio calculation of structure and transport properties of He…X (X = Zn, Cd, Hg) van der Waals complexesVladimír Sládek, Vladimír Lukeš, Michal Ilčin, et al.Journal of Computational Chemistry|March 30, 2012
Molecular dynamics extended for fluctuating networks: application to waterJennifer M Kashmirian, Alfred Uhlherr, Alan Dorin, et al.Journal of Computational Chemistry|March 30, 2012
Benchmarking the thermodynamic analysis of water molecules around a model beta sheetDavid J HugginsJournal of Computational Chemistry|March 21, 2012
Thermodynamics of chemical reactions with COSMO-RS: the extreme case of charge separation or recombinationPeter Deglmann, Stephan SchenkJournal of Computational Chemistry|March 21, 2012
Unexpectedly strong anion-π interactions on the graphene flakesGuosheng Shi, Yihong Ding, Haiping FangJournal of Computational Chemistry|December 14, 2011
Multiwfn: a multifunctional wavefunction analyzerTian Lu, Feiwu ChenPageof 598