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Journal of Computational Chemistry|July 10, 2008
Does alpha-effect exist in E2 reactions? A G2(+) investigationYi Ren, Hiroshi YamatakaJournal of Computational Chemistry|July 11, 2008
Quantum chemistry in parallel with PQSJon Baker, Krzystof Wolinski, Massimo Malagoli, et al.Journal of Computational Chemistry|July 11, 2008
A novel method for enzyme designXiaolei Zhu, Luhua LaiJournal of Computational Chemistry|February 27, 2009
Substituent effect on electron affinity, gas-phase basicity, and structure of monosubstituted propynyl radicals and their anions: a theoretical studyGab-Yong LeeJournal of Computational Chemistry|February 27, 2009
Gibbs energy of activation for thermal isomerization of (1Z)-acetaldehyde hydrazone and (1Z)-acetaldehyde N,N-dimethylhydrazone by Gaussian-4 theory and CCSD(T)/CBS computationsShih-I LuJournal of Computational Chemistry|February 27, 2009
Assessment of standard force field models against high-quality ab initio potential curves for prototypes of pi-pi, CH/pi, and SH/pi interactionsC David Sherrill, Bobby G Sumpter, Mutasem O Sinnokrot, et al.Journal of Computational Chemistry|February 27, 2009
Notes on quantitative structure-properties relationships (QSPR) part 2: the role of the number of atoms as a molecular descriptorRamon Carbó-Dorca, Ana Gallegos SalinerJournal of Computational Chemistry|December 17, 2008
Formation pathways of DMSO(2) in the addition channel of the OH-initiated DMS oxidation: A theoretical studyJuan M Ramírez-Anguita, Angels González-Lafont, José M LluchJournal of Computational Chemistry|June 17, 2009
CANADA: designing nucleic acid sequences for nanobiotechnology applicationsUdo FeldkampJournal of Computational Chemistry|January 6, 2009
Interaction of NO molecules with Pd clusters: ab initio density-functional studyRobert Grybos, Lubomir Benco, Tomas Bucko, et al.Pageof 598