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Journal of Computational Chemistry|May 5, 2007
Structural, electronic, and optical properties of phosphole-containing pi-conjugated oligomers for light-emitting diodesYan-Ling Liu, Ji-Kang Feng, Ai-Min RenJournal of Computational Chemistry|May 2, 2007
Odd-even effects in the homologous series of alkyl-cyanobiphenyl liquid crystals: a molecular dynamic studyMine Ilk Capar, Emine CebeJournal of Computational Chemistry|May 2, 2007
Theoretical study on the low-lying electronic states of NiH and NiAtWenli Zou, Wenjian LiuJournal of Computational Chemistry|May 4, 2007
Model transition states for methane diazonium ion methylation of guanine runs in oligomeric DNAKaushalya S Ekanayake, Pierre R LebretonJournal of Computational Chemistry|May 4, 2007
A novel semi-empirical topological descriptor Nt and the application to study on QSPR/QSARCongyi Zhou, Changming Nie, Shan Li, et al.Journal of Computational Chemistry|November 11, 2006
In between worlds: G.N. Lewis, the shared pair bond and its multifarious contextsAna SimõesJournal of Computational Chemistry|October 13, 2006
A distance geometry heuristic for expanding the range of geometries sampled during conformational searchSergei Izrailev, Fangqiang Zhu, Dimitris K AgrafiotisJournal of Computational Chemistry|June 6, 2006
Coronavirus phylogeny based on 2D graphical representation of DNA sequenceBo Liao, Xuyu Xiang, Wen ZhuJournal of Computational Chemistry|June 6, 2006
A new approach to counterpoise correction to BSSEAnnia Galano, J Raúl Alvarez-IdaboyJournal of Computational Chemistry|August 19, 2006
Dispersion and repulsion contributions to the solvation free energy: comparison of quantum mechanical and classical approaches in the polarizable continuum modelCarles Curutchet, Modesto Orozco, F Javier Luque, et al.Pageof 598