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Journal of Computational Chemistry|July 24, 2010
Comment on "A stationary-wave model of enzyme catalysis" by Carlo CanepaRichard Lonsdale, Jeremy N Harvey, Frederick R Manby, et al.Journal of Computational Chemistry|July 24, 2010
Parallel Fock matrix construction with distributed shared memory model for the FMO-MO methodHiroaki Umeda, Yuichi Inadomi, Toshio Watanabe, et al.Journal of Computational Chemistry|July 24, 2010
Symmetry measures of the electron densityDavid Casanova, Pere Alemany, Santiago AlvarezJournal of Computational Chemistry|July 24, 2010
Molecular tailoring approach in conjunction with MP2 and Ri-MP2 codes: A comparison with fragment molecular orbital methodAnuja P Rahalkar, Michio Katouda, Shridhar R Gadre, et al.Journal of Computational Chemistry|July 24, 2010
Using one-step perturbation to predict the effect of changing force-field parameters on the simulated folding equilibrium of a beta-peptide in solutionZhixiong Lin, Haiyan Liu, Wilfred F van GunsterenJournal of Computational Chemistry|July 24, 2010
Solving the low dimensional Smoluchowski equation with a singular value basis setGregory Scott, Martin GruebeleJournal of Computational Chemistry|July 24, 2010
Communications on quantum similarity (2): A geometric discussion on holographic electron density theorem and confined quantum similarity measuresR Carbó-Dorca, E BesalúJournal of Computational Chemistry|July 13, 2010
Theoretical studies on the reactions CH3SCH3 with OH, CF3, and CH3 radicalsHui Zhang, Gui-Ling Zhang, Jing-Yao Liu, et al.Journal of Computational Chemistry|August 27, 2010
Counting the cyclocized polyphenacenesJianguo Qian, Fuji ZhangJournal of Computational Chemistry|August 27, 2010
A high-performance parallel-generalized Born implementation enabled by tabulated interaction rescalingPer Larsson, Erik LindahlPageof 598