I'm a member of the Argonne National Laboratory Molecular Materials Group.  We use computational quantum chemistry software to study nanocrystalline diamond and carbon nanotubes.   Much of our recent work has focused on understanding the structures and energetics of nanocrystalline diamond and carbon nanotubes to which one or more dicarbons (C2) have been added.  A readable summary of some of this work may be found here.


My scientific publications

Michael Sternberg, Larry A. Curtiss, Dieter M. Gruen, Gary Kedziora, David A. Horner, Paul C. Redfern, and Peter Zapol "Carbon Ad-Dimer Defects in Carbon Nanotubes"
Physical Review Letters 2006, 96, 075506.

Michael Sternberg, David A. Horner, Paul C. Redfern, Peter Zapol, and Larry A. Curtiss
“Theoretical Studies of CN and C2 Addition to a (100)-2´1 Diamond Surface: Nanocrystalline Diamond Growth Mechanisms”
Journal of Computational and Theoretical Nanocience, 2005, 2, 207-213.

David A. Horner and Robert E. Connick
“The Kinetics of Oxygen Exchange Between the Two Isomers of Bisulfite Ion, Disulfite Ion (S2O52-), and Water as Studied by Oxygen-17 Nuclear Magnetic Resonance Spectroscopy”
 Inorganic Chemistry 2003, 42, 1884-1894.

Dieter M. Gruen, Paul C. Redfern, David A. Horner, Peter Zapol, and Larry A. Curtiss
"Theoretical Studies on Nanocrystalline Diamond:  Nucleation by Dicarbon and Electronic Structure of Planar Defects"
The Journal of Physical Chemistry B 1999, 103, 5459-5467.

Paul C. Redfern, David A. Horner, Larry A. Curtiss, and Dieter M. Gruen
“Theoretical Studies of Growth of Diamond (110) from Dicarbon”
 Journal of Physical Chemistry 1996, 100, 11654.

Benjamin A. DeGraff and David A. Horner
“Luminescence Decay and Flash Photolysis Experiments Using an Inexpensive, Laser-Based Apparatus”
 Journal of Chemical Education 1996, 73, 279.

David A. Horner, Larry A. Curtiss, and Dieter M. Gruen
“A Theoretical Study of the Energetics of Insertion of Dicarbon (C2) and Vinylidene into Methane C-H Bonds”
 Chemical Physics Letters 1995, 233, 243.

Wesley D. Allen, Attila G. Császár, and David A. Horner
"The Puckering Inversion Barrier and Vibrational Spectrum of Cyclopentene:  Development of a Scaled Quantum Mechanical Force Field Algorithm"
Journal of the American Chemical Society, 1992, 114, 6834.

David A. Horner, Roger S. Grev, and Henry F. Schaefer III
"Three-Membered Rings of Carbon, Silicon, and Germanium:  An Analysis of Thermodynamic Stability to Fragmentation"
 Journal of the American Chemical Society 1992, 114, 2093.

David A. Horner, Wesley D. Allen, Attila G. Császár, and Henry F. Schaefer III
"The Sodium Superoxide Radical: eq \O()  2A2 and eq \O()  2B2 Potential Energy Surfaces"
Chemical Physics Letters 1991, 186, 346.

Wesley D. Allen, David A. Horner, Roger L. DeKock, Richard B. Remington, and Henry F. Schaefer III
"The Lithium Superoxide Radical: Symmetry Breaking Phenomena and Potential Energy Surfaces"
Chemical Physics 1989, 133, 11.

David A. Horner and Robert E. Connick
"Equilibrium Quotient for the Isomerization of Bisulfite Ion from HSO3- to SO3H-"
 Inorganic Chemistry 1986, 25, 2414.

David A. Horner
"The Kinetics of Oxygen Exchange between Bisulfite Ion and Water as Studied by Oxygen-17 Nuclear Magnetic Resonance Spectroscopy" 
Lawrence Berkeley Laboratory Report No. 18297, Berkeley, California, 1984.

William G. Golden, David A. Horner, and John Overend
"Intensities of Binary Overtone and Combination Bands in the IR Spectrum of CClF3"
Journal of Chemical Physics 1978, 68, 964.

 

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The content and opinions expressed on this page belong to David Horner and are not endorsed by North Central College. The College accepts no responsibility for the contents of these pages.