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Journal of Computational Chemistry|February 2, 2011
Conformational searching using a population-based incremental learning algorithmStephen M Long, Tran T Tran, Peter Adams, et al.Journal of Computational Chemistry|February 2, 2011
Theoretical investigation of novel carbazole-fluorene based D-π-A conjugated organic dyes as dye-sensitizer in dye-sensitized solar cells (DSCs)Thanisorn Yakhanthip, Siriporn Jungsuttiwong, Supawadee Namuangruk, et al.Journal of Computational Chemistry|January 26, 2011
Theoretical mechanistic study on the reaction of CN radical with HNCNNan-Nan Wu, Chao-Zheng He, Xue-Mei Duan, et al.Journal of Computational Chemistry|October 21, 2010
Computerized evaluation of mean residence times in multicompartmental linear system and pharmacokineticsJ M Villalba, A J Barbero, R Diaz-Sierra, et al.Journal of Computational Chemistry|October 14, 2010
Electrostatic solvation free energy of amino acid side chain analogs: implications for the validity of electrostatic linear response in waterBin Lin, B Montgomery PettittJournal of Computational Chemistry|October 14, 2010
Intermolecular potential energy surface for CS2 dimerHossein Farrokhpour, Zainab Mombeini, Mansoor Namazian, et al.Journal of Computational Chemistry|October 14, 2010
Extremely localized nonorthogonal orbitals by the pairing theoremT Zoboki, I MayerJournal of Computational Chemistry|October 7, 2010
Reliable protein structure refinement using a physical energy functionMatthew S Lin, Teresa Head-GordonJournal of Computational Chemistry|February 18, 2011
Fast construction of assembly trees for molecular graphsSvetlana Artemova, Sergei Grudinin, Stephane RedonJournal of Computational Chemistry|February 18, 2011
Pharmacophore alignment search tool: influence of scoring systems on text-based similarity searchingVolker Hähnke, Gisbert SchneiderPageof 594