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Journal of Computational Chemistry|January 18, 2007
Long range behavior of high-rank topological multipole momentsMichel Rafat, Paul L A PopelierJournal of Computational Chemistry|March 3, 2007
Coarse-graining of protein structures for the normal mode studiesKilho Eom, Seung-Chul Baek, Jung-Hee Ahn, et al.Journal of Computational Chemistry|March 3, 2007
Pseudopericyclic design drives antara-antara [1,5] methylene sigmatropic shifts from a stepwise to a concerted mechanismCarlos Silva López, Olalla Nieto Faza, José A Souto, et al.Journal of Computational Chemistry|March 3, 2007
Electronic properties of tricoordinated phosphorus in hexagonal phosphininium compounds and molecular aromaticityWei-Qi Li, Wei-Quan Tian, Ji-Kang Feng, et al.Journal of Computational Chemistry|March 3, 2007
Accuracy of the three-body fragment molecular orbital method applied to Møller-Plesset perturbation theoryDmitri G Fedorov, Kazuya Ishimura, Toyokazu Ishida, et al.Journal of Computational Chemistry|March 3, 2007
Discrimination of dynamical system models for biological and chemical processesSönke Lorenz, Elmar Diederichs, Regina Telgmann, et al.Journal of Computational Chemistry|March 3, 2007
Vibrational corrections to geometries of transition metal complexes from density functional theoryMark P Waller, Michael BühlJournal of Computational Chemistry|March 6, 2007
Vibrational anharmonic calculations in solution: performance of various DFT approachesDidier Begue, Claude PouchanJournal of Computational Chemistry|March 6, 2007
A DFT study on the dimerization of C62, H2-C62, and F2-C62Jin Qiang Hou, Hong Seok KangJournal of Computational Chemistry|March 7, 2007
Theoretical calculations: can Gibbs free energy for intermolecular complexes be predicted efficiently and accurately?Olexandr Isayev, Leonid Gorb, Jerzy LeszczynskiPageof 598