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Journal of Computational Chemistry|December 23, 2006
Blue-shifting hydrogen bond in the benzene-benzene and benzene-naphthalene complexesJose M Hermida-Ramón, Ana M GrañaJournal of Computational Chemistry|December 30, 2006
Nearest-neighbor nonparametric method for estimating the configurational entropy of complex moleculesVladimir Hnizdo, Eva Darian, Adam Fedorowicz, et al.Journal of Computational Chemistry|December 30, 2006
Selected excitation for CAS-SDCI calculationsBenoît Bories, Daniel Maynau, Marie-Laure BonnetJournal 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 BühlPageof 594