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Journal of Computational Chemistry|October 30, 2007
DFT modeling of reactivity in an ionic liquid: How many ion pairs?Fabienne Bessac, Feliu MaserasJournal of Computational Chemistry|October 30, 2007
RNA conformational sampling. I. Single-nucleotide loop closureC H MakJournal of Computational Chemistry|November 14, 2007
A self-organizing algorithm for molecular alignment and pharmacophore developmentDeepak Bandyopadhyay, Dimitris K AgrafiotisJournal of Computational Chemistry|June 15, 2007
Searching for globally optimal functional forms for interatomic potentials using genetic programming with parallel temperingA Slepoy, M D Peters, A P ThompsonJournal of Computational Chemistry|June 16, 2007
Assessment of theoretical methods for the calculation of methyl cation affinitiesY Wei, T Singer, H Mayr, et al.Journal of Computational Chemistry|June 19, 2007
Application of quantum topological molecular similarity descriptors in QSPR study of the O-methylation of substituted phenolsBahram Hemmateenejad, Afshan MohajeriJournal of Computational Chemistry|June 19, 2007
A comparative study of some red- and blue-shifted linear H-bonded complexes of N2Sean A C McDowellJournal of Computational Chemistry|August 21, 2007
Parameterization of azole-bridged dinuclear platinum anticancer drugs via a QM/MM force matching procedureKatrin Spiegel, Alessandra Magistrato, Patrick Maurer, et al.Journal of Computational Chemistry|November 7, 2008
A combined semiempirical-DFT study of oligomers within the finite-chain approximation, evolution from oligomers to polymersPedro A DerosaJournal of Computational Chemistry|November 11, 2008
Estimation on the intramolecular 10-membered ring N-H...O=C hydrogen-bonding energies in glycine and alanine peptidesYan Zhang, Chang-Sheng WangPageof 598