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Journal of Computational Chemistry|March 8, 2005
Theoretical study for the reaction of CH3OCl with Cl atomHong-Qing He, Jing-Yao Liu, Ze-Sheng Li, et al.Journal of Computational Chemistry|September 22, 2005
Comment on "Using quaternions to calculate RMSD" [J. Comp. Chem. 25, 1849 (2004)]G R KnellerJournal of Computational Chemistry|June 18, 2005
Optimization of auxiliary basis sets for the LEDO expansion and a projection technique for LEDO-DFTAndreas W Götz, Christian Kollmar, Bernd A HessJournal of Computational Chemistry|June 14, 2005
A theoretical study on the structures and energetics of hypothetical TiM(NCN)3 compounds of the 3d transition metalsMaxence Launay, Richard DronskowskiJournal of Computational Chemistry|May 17, 2005
Computations on the A-X transition of isoprene-OH-O2 peroxy radicalsTheodore S DibbleJournal of Computational Chemistry|March 7, 2006
Balancing an accurate representation of the molecular surface in generalized born formalisms with integrator stability in molecular dynamics simulationsJana Chocholousová, Michael FeigJournal of Computational Chemistry|March 15, 2006
Detection of discriminative sequence motifs in proteins obtained from prokaryotes grown at various temperaturesLi-Cheng Wu, Jorng-Tzong Horng, Shir-Ly Huang, et al.Journal of Computational Chemistry|March 8, 2006
Epimerization and desaturation by carbapenem synthase (CarC). A hybrid DFT studyTomasz Borowski, Ewa Broclawik, Christopher J Schofield, et al.Journal of Computational Chemistry|May 18, 2005
Role of the surface heterogeneity in adsorption of hydrogen ions on metal oxides: theory and simulationsPiotr Zarzycki, Paweł Szabelski, Robert CharmasJournal of Computational Chemistry|May 18, 2005
Practical conversion from torsion space to Cartesian space for in silico protein synthesisJerod Parsons, J Bradley Holmes, J Maurice Rojas, et al.Pageof 598