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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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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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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N-trimethyl chitosan chloride as a potential absorption enhancer across mucosal surfaces : In vitro evaluation in intestinal epithelial cells (Caco-2) von KOTZE, A. F, LUESSEN, H. L, DE LEEUW, B. J, DE BOER, A. B. G, VERHOEF, J. C, JUNGINGER, H. E

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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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The X AIOH-X HAIO isomerization potential energy hypersurface von VACEK, G, DELEEUW, B. J, SCHAEFER, H. 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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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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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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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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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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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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A systematic theoretical study of the harmonic vibrational frequencies for polyatomic molecules : the single, double, and pertubative triple excitation coupled-cluster [CCSD(T)]met... von RUSSELL THOMAS, J, DELEEUW, B. J, VACEK, G, SCHAEFER, H. F

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Issomerization reactions on the lowest potential energy hypersurface of triplet vinylidene and triplet acetylene von VACEK, G, THOMAS, J. R, DELEEUW, B. J, YAMAGUCHI, Y, SCHAEFER, H. 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 dissociation energy of N2 von AlmlÖf, Jan, Deleeuw, Bradley J., Taylor, Peter R., Bauschlicher Jr, Charles W., Siegbahn, Per

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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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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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Tumour-infiltrating FOXP3+ lymphocytes are associated with cytotoxic immune responses and good clinical outcome in oestrogen receptor-negative breast cancer von West, N R, Kost, S E, Martin, S D, Milne, K, deLeeuw, R J, Nelson, B H, Watson, P H

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