A local density functional study of the structure and vibrational frequencies of molecular transition-metal compounds C Sosa, J Andzelm, BC Elkin, E Wimmer, KD Dobbs, DA Dixon The Journal of Physical Chemistry 96 (16), 6630-6636, 1992 | 888 | 1992 |
Molecular orbital theory of the properties of inorganic and organometallic compounds 4. Extended basis sets for third-and fourth-row, main-group elements KD Dobbs, WJ Hehre Journal of Computational Chemistry 7 (3), 359-378, 1986 | 629 | 1986 |
Molecular orbital theory of the properties of inorganic and organometallic compounds 5. Extended basis sets for first-row transition metals KD Dobbs, WJ Hehre Journal of Computational Chemistry 8 (6), 861-879, 1987 | 556 | 1987 |
Molecular orbital theory of the properties of inorganic and organometallic compounds. 6. Extended basis sets for second-row transition metals KD Dobbs, WJ Hehre Journal of Computational Chemistry 8 (6), 880-893, 1987 | 534 | 1987 |
2, 6-Bis [2-(4-pentylphenyl) vinyl] anthracene: a stable and high charge mobility organic semiconductor with densely packed crystal structure H Meng, F Sun, MB Goldfinger, F Gao, DJ Londono, WJ Marshal, ... Journal of the American Chemical Society 128 (29), 9304-9305, 2006 | 225 | 2006 |
Amide-water and amide-amide hydrogen bond strengths DA Dixon, KD Dobbs, JJ Valentini The Journal of Physical Chemistry 98 (51), 13435-13439, 1994 | 193 | 1994 |
Dynamics of molecular surface diffusion: Origins and consequences of long jumps KD Dobbs, DJ Doren The Journal of Chemical Physics 97 (5), 3722-3735, 1992 | 131 | 1992 |
Correlating experimental photophysical properties of iridium (III) complexes to spin–orbit coupled TDDFT predictions JM Younker, KD Dobbs The Journal of Physical Chemistry C 117 (48), 25714-25723, 2013 | 107 | 2013 |
Electronic structure of. lambda. 5-phosphaacetylene and corresponding triplet methylenes DA Dixon, KD Dobbs, AJ Arduengo III, G Bertrand Journal of the American Chemical Society 113 (23), 8782-8785, 1991 | 102 | 1991 |
Copolymerization of Ethylene and Acrylates by Nickel Catalysts L Johnson, L Wang, S McLain, A Bennett, K Dobbs, E Hauptman, A Ionkin, ... Beyond Metallocenes 857, 131-142, 2003 | 101 | 2003 |
.pi.-Bond strengths in main-group olefin analogs KD Dobbs, WJ Hehre Organometallics 5 (10), 2057-2061, 1986 | 90 | 1986 |
Ab initio prediction of the activation energy for the abstraction of a hydrogen atom from methane by chlorine atom KD Dobbs, DA Dixon The Journal of Physical Chemistry 98 (48), 12584-12589, 1994 | 88 | 1994 |
Ab initio prediction of the barrier height for abstraction of H from CH4 by OH KD Dobbs, DA Dixon, A Komornicki The Journal of chemical physics 98 (11), 8852-8858, 1993 | 88 | 1993 |
Why Excess Cyanide Can Be Detrimental to Pd-Catalyzed Cyanation of Haloarenes. Facile Formation and Characterization of [Pd(CN)3(H)]2- and [Pd(CN)3(Ph)]2- KD Dobbs, WJ Marshall, VV Grushin Journal of the American Chemical Society 129 (1), 30-31, 2007 | 83 | 2007 |
Theoretical investigation of aluminum-oxygen. pi.-bonding in 3-and 4-coordinate aluminum alkoxides AR Barron, KD Dobbs, MM Francl Journal of the American Chemical Society 113 (1), 39-43, 1991 | 69 | 1991 |
On the proposed existence of a ketene derived from carbon monoxide and 1, 3-di-1-adamantylimidazol-2-ylidene DA Dixon, AJ Arduengo III, KD Dobbs, DV Khasnis Tetrahedron letters 36 (5), 645-648, 1995 | 57 | 1995 |
Ab initio prediction of the activation energies for the abstraction and exchange reactions of H with CH4 and SiH4 KD Dobbs, DA Dixon The Journal of Physical Chemistry 98 (20), 5290-5297, 1994 | 48 | 1994 |
Copper (I) complexes with bis (trimethylsilyl) acetylene: role of ancillary ligands in determining π back-bonding interactions JS Thompson, AZ Bradley, KH Park, KD Dobbs, W Marshall Organometallics 25 (11), 2712-2714, 2006 | 44 | 2006 |
Trends in structure and reactivity of group 15 alkyls, alkylidenes, and alkylidynes KD Dobbs, JE Boggs, AH Cowley Chemical physics letters 141 (5), 372-375, 1987 | 43 | 1987 |
The third industrial fluid properties simulation challenge FH Case, J Brennan, A Chaka, KD Dobbs, DG Friend, D Frurip, ... Fluid phase equilibria 260 (2), 153-163, 2007 | 38 | 2007 |