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Journal of Computational Chemistry|July 13, 2002
Ab initio study of the mechanism of singlet-dioxygen addition to hydroxyaromatic compounds: negative evidence for the involvement of peroxa and endoperoxide intermediatesMaciej Bobrowski, Adam Liwo, Stanisław Ołdziej, et al.Journal of Computational Chemistry|July 13, 2002
FA(I):A(+) and FA(II):Cu(+) laser activity and photographic sensitization at the low coordinated surfaces of AgBr ab initio calculationsA S ShalabiJournal of Computational Chemistry|July 13, 2002
Intruder state avoidance multireference Møller-Plesset perturbation theoryHenryk A Witek, Yoong-Kee Choe, James P Finley, et al.Journal of Computational Chemistry|July 13, 2002
Molecular dynamics simulation of thymine glycol-lesioned DNA reveals specific hydration at the lesionMiroslav PinakJournal of Computational Chemistry|July 13, 2002
Direct hydride transfer in the reaction mechanism of quinoprotein alcohol dehydrogenases: a quantum mechanical investigationA. Jongejan, J. A. Jongejan, W. R. HagenJournal of Computational Chemistry|July 13, 2002
Derivation of class II force fields. VIII. Derivation of a general quantum mechanical force field for organic compoundsCarl S. Ewig, Rajiv Berry, Uri Dinur, et al.Journal of Computational Chemistry|May 16, 2002
A systematic sequence of relativistic approximationsKenneth G DyallJournal of Computational Chemistry|May 16, 2002
Dependence of relativistic effects on electronic configuration in the neutral atoms of d- and f-block elementsJ Autschbach, S Siekierski, M Seth, et al.Journal of Computational Chemistry|April 15, 2003
Packing optimization for automated generation of complex system's initial configurations for molecular dynamics and dockingJosé Mario Martínez, Leandro MartínezJournal of Computational Chemistry|April 15, 2003
Selective descriptor pruning for QSAR/QSPR studies using artificial neural networksJoseph V Turner, David J Cutler, Ian Spence, et al.Pageof 598