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Journal of Computational Chemistry|January 19, 2010
A model study of the efficiency of the Asp-His-Ser triadTimm Lankau, Chin-Hui YuJournal of Computational Chemistry|January 19, 2010
Reaction pathways of propene pyrolysisYena Qu, Kehe Su, Xin Wang, et al.Journal of Computational Chemistry|May 5, 2017
Jumping between protein conformers using normal modesSwapnil Mahajan, Yves-Henri SanejouandJournal of Computational Chemistry|September 21, 2016
PyMOL360: Multi-user gamepad control of molecular visualization softwarePatrick V Holec, Benjamin J HackelJournal of Computational Chemistry|July 2, 2017
Molecular electrostatic potential and "atoms-in-molecules" analyses of the interplay between π-hole and lone pair···π/X-H···π/metal···π interactionsAntonio Bauzá, Saikat Kumar Seth, Antonio FronteraJournal of Computational Chemistry|July 2, 2017
Cluster size convergence for the energetics of the oxygen evolving complex in PSIIPer E M Siegbahn, Xichen LiJournal of Computational Chemistry|December 7, 2005
Interatomic potential models for natural apatite crystals: incorporating strontium and the lanthanidesJ A L Rabone, N H De LeeuwJournal of Computational Chemistry|February 4, 2010
Global minimum geometries of acetylene clusters (HCCH)n with n < or = 55 obtained by a heuristic method combined with geometrical perturbationsHiroshi TakeuchiJournal of Computational Chemistry|February 4, 2010
Combination of the Metropolis Monte Carlo and Lattice Statics method for geometry optimization of H-(Al)-ZSM-5Suchaya PongsaiJournal of Computational Chemistry|November 25, 2003
Ab initio direct dynamics studies on the reaction of H atom with CH3CH2ClLi Sheng, Ze-Sheng Li, Jing-Yao Liu, et al.Pageof 598