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Journal of Computational Chemistry|May 30, 2009
Assessment of biomolecular force fields for molecular dynamics simulations in a protein crystalZhongqiao Hu, Jianwen JiangJournal of Computational Chemistry|June 6, 2009
Diagnosis of magnetoresponsive aromatic and antiaromatic zones in three-membered rings of d- and f-block elementsAthanassios C Tsipis, Ioannis G Depastas, Efstathios E Karagiannis, et al.Journal of Computational Chemistry|June 6, 2009
A simple representation of energy matrix elements in terms of symmetry-invariant basesPeng Cui, Jian Wu, Guiqing Zhang, et al.Journal of Computational Chemistry|June 9, 2009
Some recent techniques for free energy calculationsEric Vanden-EijndenJournal of Computational Chemistry|April 29, 2009
Increasing the time step with mass scaling in Born-Oppenheimer ab initio QM/MM molecular dynamics simulationsHan Zheng, Shenglong Wang, Yingkai ZhangJournal of Computational Chemistry|April 29, 2009
Effect of metal ions on radical type and proton-coupled electron transfer channel: sigma-radical vs pi-radical and sigma-channel vs pi-channel in the imide unitsXiaohua Chen, Dianxiang Xing, Liang Zhang, et al.Journal of Computational Chemistry|May 2, 2009
The subspace iteration method in protein normal mode analysisReza Sharifi Sedeh, Mark Bathe, Klaus-Jürgen BatheJournal of Computational Chemistry|May 2, 2009
Tuning aromaticity in trigonal alkaline earth metal clusters and their alkali metal saltsJ Oscar C Jiménez-Halla, Eduard Matito, Lluís Blancafort, et al.Journal of Computational Chemistry|May 5, 2009
QM/MM calculation of solvent effects on absorption spectra of guanineMaja Parac, Markus Doerr, Christel M Marian, et al.Journal of Computational Chemistry|December 31, 2008
In silico prediction of drug solubility: 4. Will simple potentials suffice?Kai Lüder, Lennart Lindfors, Jan Westergren, et al.Pageof 598