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Journal of Computational Chemistry|August 8, 2007
Identification of biomolecular conformations from incomplete torsion angle observations by hidden Markov modelsAlexander Fischer, Sonja Waldhausen, Illia Horenko, et al.Journal of Computational Chemistry|March 7, 2007
Computational tool to model the packing of polycyclic chains: structural analysis of amorphous polythiopheneDavid Curcó, Carlos AlemánJournal of Computational Chemistry|March 8, 2007
Molecular structures of the two most stable conformers of free glycineVeronika Kasalová, Wesley D Allen, Henry F Schaefer, et al.Journal of Computational Chemistry|March 8, 2007
Hybrid molecular dynamics-quantum mechanics simulations of solute spectral properties in the condensed phase: evaluation of simulation parametersMatthew C Zwier, Justin M Shorb, Brent P KruegerJournal of Computational Chemistry|March 8, 2007
Polarizable model potential function for nucleic acid basesSetsuko NakagawaJournal of Computational Chemistry|March 8, 2007
Molecular dynamics simulation in the grand canonical ensembleHossein Eslami, Florian Müller-PlatheJournal of Computational Chemistry|March 8, 2007
Structural and electronic properties of boron-doped lithium clusters: ab initio and DFT studiesYing Li, Di Wu, Zhi-Ru Li, et al.Journal of Computational Chemistry|March 8, 2007
Theoretical study of the vertical excited states of benzene, pyrimidine, and pyrazine by the symmetry adapted cluster--configuration interaction methodYongjian Li, Jian Wan, Xin XuJournal of Computational Chemistry|August 28, 2007
Combined QM/MM and path integral simulations of kinetic isotope effects in the proton transfer reaction between nitroethane and acetate ion in waterJiali Gao, Kin-Yiu Wong, Dan T MajorJournal of Computational Chemistry|August 28, 2007
Full configuration interaction calculation of the low lying valence and Rydberg states of BeHJ Pitarch-Ruiz, J Sánchez-Marín, A M VelascoPageof 598