Reinvestigation of the Gas-Phase Structure of RDX Using Density Functional Theory Predictions of Electron-Scattering Intensities von Vladimiroff, Theodore, Rice, Betsy M

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A density functional study of s-trinitrobenzene von Vladimiroff, T

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Ab initio calculations of the mean-square amplitudes of vibration for the fluoroethylenes von Vladimiroff, T

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Ab initio and density functional calculations of mean-square amplitudes of vibration for benzene and cubane von Vladimiroff, T

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An ab initio and density functional study of nitrosomethane and its rearrangement products formaldonitrone and formaldoxime von Vladimiroff, T.

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A density functional study of tetranitromethane von Vladimiroff, T

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Optimized gaussian bond functions for CO von Vladimiroff, T.

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Extended, optimized Gaussian bond functions for nitrogen von Vladimiroff, T.

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Ab initio molecular orbital studies of cyclic nitric oxide dimer von Vladimiroff, T

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Molecular dynamics of hard spheres. II: Hard spheres in a spherical cavity von MACPHERSON, A. K, CARIGNAN, Y. P, VLADIMIROFF, T

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Molecular dynamics of hard spheres. I: Hard spheres in a channel von MACPHERSON, A. K, CARIGNAN, Y. P, VLADIMIROFF, T

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Molecular dynamics of hard sphere. III: Hard spheres in an almost spherical container von CARIGNAN, Y. P, VLADIMIROFF, T, MACPHERSON, A. K

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Observations Concerning the Use of Perturbation Theory for the Improvement of Approximate Wavefunctions von Vladimiroff, T.

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Comparison of the use of 3d polarization functions and bond functions in Gaussian Hartree-Fock calculations von Vladimiroff, T

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Flame Temperature Calculations at High Temperature and Pressure von Vladimiroff, T., Carignan, Y. P., Chiu, D. S., Macpherson, A. K.

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Observations Concerning Directly and Nondirectly Bonded 13C-H Couplings with Respect to Symmetry Considerations von Vladimiroff, T

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First-order perturbation theory in the LCAO approximation. Case of an ionic crystal in a magnetic field von Vladimiroff, T

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The dynamics of hard spheres in a collapsing spherical container von Vladimiroff, T., Carignan, Y.P., Macpherson, A.K., Macpherson, P.A.

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Computation of Molecular Equilibrium Geometries Using Self-Consistent Perturbation Theory von Vladimiroff, T.

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A dynamic monte carlo method for fluids von Macpherson, A.K., Vladimiroff, T., Zdinak, W.M.

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