K. Dobbs

发表

A local density functional study of the structure and vibrational frequencies of molecular transition-metal compounds

David A. Dixon, Erich Wimmer, Jan Andzelm, 1992 .

“To Bend or not To Bend?” Both! The Planar and Bent Structures of[(Ph3P)4Rh2(μ-F)2]

S. Alvarez, W. Marshall, V. Grushin, 2006 .

Quantum chemical modeling for 157 nm photolithography

R. C. Wheland, B. Smart, K. Dobbs, 2003 .

2,6-Bis[2-(4-pentylphenyl)vinyl]anthracene: a stable and high charge mobility organic semiconductor with densely packed crystal structure.

F. Gao, H. Meng, G. Blackman, 2006, Journal of the American Chemical Society.

Highly Quantum Efficient Phosphorescent Sky Blue Emitters Based on Diastereomeric Iridium(III) Complexes of Atropisomeric 5-Aryl-4H-1,2,4-triazole Ligands

J. Meth, W. Marshall, T. Scholz, 2015 .

Prediction of activation energies for the exchange reaction H + H'X .fwdarw. H' + HX by ab initio molecular orbital methods

D. Dixon, K. Dobbs, 1993 .

Trends in structure and reactivity of group 15 alkyls, alkylidenes, and alkylidynes

J. E. Boggs, K. Dobbs, A. Cowley, 1987 .

Molecular structures of gaseous trifluoro(methyl)sulfurane, CH3SF3, and trifluoro(trifluoromethyl)sulfurane, CF3SF3: experimental determination by electron diffraction and ab initio calculations

H. Robertson, J. E. Boggs, A. J. Downs, 1989 .

Molecular Structures of Gaseous Trifluoromethylsulfurane, CH3SF3, and Trifluoro(trifluoromethyl)sulfurane, CF3SF3: Experimental Determination by Electron Diffraction and ab initio Calculations.

H. Robertson, J. E. Boggs, A. J. Downs, 1989 .

Copolymerization of Ethylene and Acrylates by Nickel Catalysts

W. G. Marshall, A. Ionkin, M. Brookhart, 2003 .

Copper(I) Complexes with Bis(trimethylsilyl)acetylene: Role of Ancillary Ligands in Determining π Back-Bonding Interactions

J. Thompson, W. Marshall, K. Dobbs, 2006 .

Phosphorescent Iridium(III) Complexes of Cyclometalated 5-Aryl-1H-1,2,4-Triazole Ligands: Structural, Computational, Spectroscopic, and Device Studies

Ying Wang, J. Meth, W. Marshall, 2014 .

Molecular orbital theory of the properties of inorganic and organometallic compounds 5. Extended basis sets for first‐row transition metals

Warren J. Hehre, W. Hehre, K. D. Dobbs, 1987 .

Modeling chemical reactivity. IX: The role of the metal in controlling the stereochemistry of nucleophilic additions of organometallic reagents

W. Hehre, S. Kahn, K. Dobbs, 1988 .

.pi.-Bond strengths in main-group olefin analogs

W. Hehre, K. Dobbs, 1986 .

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-).

W. Marshall, V. Grushin, K. Dobbs, 2007, Journal of the American Chemical Society.

Amide-Water and Amide-Amide Hydrogen Bond Strengths

David A. Dixon, James J. Valentini, D. Dixon, 1994 .

Hybridization effects on metal-ligand bond lengths in organometallic compounds

W. Hehre, K. Dobbs, 1986 .

Electronic structure of .lambda.5-phosphaacetylene and corresponding triplet methylenes

A. J. Arduengo, D. Dixon, G. Bertrand, 1991 .

Computational Chemistry for the Design of Materials with Low Environmental Impact

D. Dixon, K. Dobbs, 1994 .

Molecular orbital theory of the properties of inorganic and organometallic compounds 4. Extended basis sets for third‐and fourth‐row, main‐group elements

W. Hehre, K. D. Dobbs, W. J. Hehre, 1986 .

Structure and Dynamics of Octamethyl-POSS Nanoparticles

G. Ehlers, R. Smalley, M. Tyagi, 2014 .

AB INITIO PREDICTION OF THE ACTIVATION ENERGIES FOR THE ABSTRACTION AND EXCHANGE REACTIONS OF H WITH CH4 AND SIH4

D. Dixon, K. Dobbs, 1994 .

Correlating Experimental Photophysical Properties of Iridium(III) Complexes to Spin–Orbit Coupled TDDFT Predictions

Jarod M. Younker, Kerwin D. Dobbs, K. Dobbs, 2013 .

Mechanistic insight into gas-phase reactions of hydrogen atom with disilane and hydrogen atom etching of silicon surfaces

D. Doren, K. Dobbs, 1993 .

Ab initio prediction of the barrier height for abstraction of H from CH4 by OH

D. Dixon, A. Komornicki, K. Dobbs, 1993 .

Molecular orbital theory of the properties of inorganic and organometallic compounds. 6. Extended basis sets for second‐row transition metals

W. Hehre, K. Dobbs, 1987 .

Dynamics of molecular surface diffusion: Energy distributions and rotation–translation coupling

D. Doren, K. Dobbs, 1993 .

Dynamics of molecular surface diffusion: Origins and consequences of long jumps

D. Doren, K. Dobbs, 1992 .

Gallane-arsine, H3Ga·AsH3: Prediction of a stable ga-as bonded species

C. Bock, M. Trachtman, K. Dobbs, 1990 .

On the proposed existence of a ketene derived from carbon monoxide and 1,3-di-1-adamantylimidazol-2-ylidene

A. J. Arduengo, D. Dixon, K. Dobbs, 1995 .

Origin of side bands in the FTIR spectrum of acetone oxime vinyl ether

K. Sohlberg, K. Dobbs, 2002 .

2-Phenylpyridine: To Twist or Not To Twist?

K. Sohlberg, K. Dobbs, 2006, Journal of chemical theory and computation.

Ab initio molecular orbital study of the gallium arsenide hydrides

C. Bock, M. Trachtman, K. Dobbs, 1991 .

Ab Initio Prediction of the Activation Energy for the Abstraction of a Hydrogen Atom from Methane by Chlorine Atom

David A. Dixon, D. Dixon, Kerwin D. Dobbs, 1994 .

The Fifth Industrial Fluid Properties Simulation Challenge | NIST

J. D. Olson, D. Friend, J. Brennan, 2007 .

Bis(ylides) of phosphorus(V) and their structural isomers: an ab initio study

J. E. Boggs, A. Barron, K. Dobbs, 1988 .