Substitution effects on the properties of unsaturated carbenes: fluorovinylidene (HFC:C:) von DeLeeuw, Bradley J, Fermann, Justin T, Xie, Yaoming, Schaefer, Henry F

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The balance between theoretical method and basis set quality : a systematic study of equilibrium geometries, dipole moments, harmonic vibrational frequencies, and infrared intensit... von THOMAS, J. R, DELEEUW, B. J, VACEK, G, CRAWFORD, T. D, YAMAGUCHI, Y, SCHAEFER, H. F

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A comparison and contrast of selected saturated and unsaturated hydrides of group 14 elements: C2H6, Si2H6, Ge2H6, and C2H2, Si2H2, Ge2H2 von DeLeeuw, Bradley J, Grev, Roger S, Schaefer, Henry F

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A systematic theoretical study of the harmonic vibrational frequencies for polyatomic molecules: The single, double, and perturbative triple excitation coupled-cluster [CCSD(T)] me... von Thomas, J. Russell, DeLeeuw, Bradley J., Vacek, George, Schaefer, Henry F.

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Application of the Energy Derivative Analysis Method to the Cis Monobridged Equilibrium Structures Al2H2, Si2H2, Ga2H2, and Ge2H2 and the Comparable Stationary Points of B2H2 and C... von Yamaguchi, Yukio, DeLeeuw, Bradley H, Richards, Claude A, Schaefer, Henry F, Frenking, Gernot

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Structurally-Rich Potential Energy Surface of the Alagallylyne (AlGaH2) Molecule von Thomas, J. Russell, O'Leary, Paul, DeLeeuw, Bradley J, Schaefer, Henry F, Duke, Brian J, O'Leary, Brian

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Carbonyl–water hydrogen bonding: The H2CO–H2O prototype von Ramelot, Theresa A., Hu, Ching-Han, Fowler, Joseph E., DeLeeuw, Bradley J., Schaefer, Henry F.

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Isomerization reactions on the lowest potential energy hypersurface of triplet vinylidene and triplet acetylene von Vacek, George, Thomas, J. Russell, DeLeeuw, Bradley J., Yamaguchi, Yukio, Schaefer, Henry F.

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Germanium-germanium multiple bonds: the singlet electronic ground state of Ge2H2 von GREV, R. S, DELEEUW, B. J, SCHAEFER, H. F. III

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The X AIOH-X HAIO isomerization potential energy hypersurface von VACEK, G, DELEEUW, B. J, SCHAEFER, H. F

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An ab   initio study on the ground state HBO–BOH system von Richards, Claude A., Vacek, George, DeLeeuw, Bradley J., Yamaguchi, Yukio, Schaefer, Henry F.

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First and second energy derivative analyses of the vinylidene and acetylene triplet state potential energy hypersurfaces von Yamaguchi, Yukio, Vacek, George, Thomas, J. Russell, DeLeeuw, Bradley J., Schaefer, Henry F.

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Comparative energy derivative analyses of the HBO–BOH and AlOH–HAlO potential energy hypersurfaces von Yamaguchi, Yukio, DeLeeuw, Bradley J., Vacek, George, Richards, Claude A., Schaefer, Henry F.

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The ethylenedione anion: Elucidation of the intricate potential energy hypersurface von Thomas, J. Russell, DeLeeuw, Bradley J., O’Leary, Paul, Schaefer, Henry F., Duke, Brian J., O’Leary, Brian

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Chromium dihydride (CrH 2 ): theoretical evidence for a bent 5 B 2 ground state von Deleeuw, Bradley J., Yamaguchi, Yukio, Schaefer, Henry F.

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Chromium dihydride (CrH2): theoretical evidence for a bent 5B2 ground state von Deleeuw, Bradley J., Yamaguchi, Yukio, Schaefer, Henry F.

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The X̃ AlOH–X̃ HAlO isomerization potential energy hypersurface von Vacek, George, DeLeeuw, Bradley J., Schaefer, Henry F.

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The dissociation energy of N2 von AlmlÖf, Jan, Deleeuw, Bradley J., Taylor, Peter R., Bauschlicher Jr, Charles W., Siegbahn, Per

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The silicon-carbon symmetric stretching fundamental V1 of Si2C : nonintuitive theoretical behavior von BOLTON, E. E, DELEEUW, B. J, FOWLER, J. E, GREV, R. S, SCHAEFER, H. F

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The silicon–carbon symmetric stretching fundamental ν1 of Si2C: Nonintuitive theoretical behavior von Bolton, Evan E., DeLeeuw, Bradley J., Fowler, Joseph E., Grev, Roger S., Schaefer, Henry F.

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