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Journal of Computational Chemistry|September 5, 2002
Stable conformations of 12-crown-O3N and its Li+ complex in aqueous solutionKenzi Hori, Nobumitsu Dou, Katsuhiko Okano, et al.Journal of Computational Chemistry|September 5, 2002
Accelerated Poisson-Boltzmann calculations for static and dynamic systemsRay Luo, Laurent David, Michael K GilsonJournal of Computational Chemistry|September 5, 2002
Determination of the effective dielectric constant from the accurate solution of the Poisson equationVladislav VasilyevJournal of Computational Chemistry|August 20, 2003
Improved third-order Møller-Plesset perturbation theoryStefan GrimmeJournal of Computational Chemistry|August 20, 2003
A multicentered approach to integrated QM/QM calculations. Applications to multiply hydrogen bonded systemsBrian W Hopkins, Gregory S TschumperJournal of Computational Chemistry|August 20, 2003
Ab initio study of the mechanism of the atmospheric reaction: NO2 + O3 --> NO3 + O2Julio Peiró-García, Ignacio Nebot-GilJournal of Computational Chemistry|July 18, 2003
Improved precision and efficiency of free energy calculations for small systems using lambda-scaled atomic masses and separating conformational and transformational samplingPeter Carlsson, Lennart NilssonJournal of Computational Chemistry|July 18, 2003
Flexible effective fragment QM/MM method: validation through the challenging testsA V Nemukhin, B L Grigorenko, I A Topol, et al.Journal of Computational Chemistry|July 18, 2003
Solvent viscosity dependence of the folding rate of a small protein: distributed computing studyBojan Zagrovic, Vijay PandeJournal of Computational Chemistry|July 18, 2003
Systematic and statistical error in histogram-based free energy calculationsMark N KobrakPageof 598