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Journal of Computational Chemistry|May 10, 2005
Theoretical studies on the electronic and optical properties of two new alternating fluorene/carbazole copolymersLi Yang, Ji-Kang Feng, Ai-Min RenJournal of Computational Chemistry|August 10, 2005
CH/pi interactions involving aromatic amino acids: refinement of the CHARMM tryptophan force fieldAlba T Macias, Alexander D MackerellJournal of Computational Chemistry|August 10, 2005
An augmented effective core potential basis set for the calculation of molecular polarizabilitiesNicholas P Labello, Antonio M Ferreira, Henry A KurtzJournal of Computational Chemistry|August 19, 2005
Graphical approach to analyzing DNA sequencesBo Liao, Kequan DingJournal of Computational Chemistry|August 11, 2005
Ab initio and DFT benchmark study for nucleophilic substitution at carbon (SN2@C) and silicon (SN2@Si)A Patrícia Bento, Miquel Solà, F Matthias BickelhauptJournal of Computational Chemistry|August 11, 2006
An algorithm for three-dimensional Voronoi S-networkN N Medvedev, V P Voloshin, V A Luchnikov, et al.Journal of Computational Chemistry|August 11, 2006
Minimum sequence requirements for selective RNA-ligand binding: a molecular mechanics algorithm using molecular dynamics and free-energy techniquesPeter C Anderson, Sandro MecozziJournal of Computational Chemistry|August 11, 2006
Quantum mechanical calculation of the effects of stiff and rigid constraints in the conformational equilibrium of the alanine dipeptidePablo Echenique, Iván Calvo, J L AlonsoJournal of Computational Chemistry|September 19, 2006
Numerical characterization of DNA sequences based on the k-step Markov chain transition probabilityQi Dai, Xiao-Qing Liu, Tian-Ming WangJournal of Computational Chemistry|September 19, 2006
Ab initio studies on isomers of macropolyhedral borane ions [B20H18]n (n = 0, -2, -4)Jian Zhang, Mingyu Zhang, Yuanyuan Zhao, et al.Pageof 593