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Journal of Molecular Modeling|October 19, 2010
Quantum chemical modeling of perovskite: An investigation of piezoelectricity in ferrite of yttriumFábio Augusto M de Lira, Márcio de Souza Farias, Antonio Florêncio de Figueiredo, et al.
Journal of Molecular Modeling|September 15, 2010
Kinetically stable high-energy isomers of C14H12 and C12H10N2 derived from cis-stilbene and cis-azobenzeneJon Baker, Krzysztof Wolinski
Journal of Molecular Modeling|September 28, 2010
Theoretical studies on nitrogen rich energetic azolesVikas Dasharath Ghule, Radhakrishnan Sarangapani, Pandurang M Jadhav, et al.
Journal of Molecular Modeling|September 28, 2010
Molecular surface electrostatic potentials as guides to Si-O-N angle contraction: tunable σ-holesJane S Murray, Monica C Concha, Peter Politzer
Journal of Molecular Modeling|July 15, 2010
Computational molecular characterization of the flavonoid Morin and its Pt(II), Pd(II) and Zn(II) complexesSergio A Payán-Gómez, Norma Flores-Holguín, Antonino Pérez-Hernández, et al.
Journal of Molecular Modeling|July 15, 2010
Electronic coherence dephasing in excitonic molecular complexes: role of Markov and secular approximationsJan Olšina, Tomáš Mančal
Journal of Molecular Modeling|July 8, 2010
Theoretical study on interactions of β-cyclodextrin with Helicobacter pylori eradicating agent (TG44)Xin Jin, Xueye Wang, Cuihuan Ren, et al.
Journal of Molecular Modeling|July 30, 2010
Environment influences on the aromatic character of nucleobases and amino acidsPiotr Cysewski, Beata Szefler
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