A. D. Johnson S. P. / Gaussian Inc. / World Scientific / Quantum / J. Sehested L. P. / /
Country
Singapore / /
Currency
USD / / /
Facility
American Institute of Physics Downloaded / University of Washington / American Institute of Physics / J. R. Trail / The University of Texas / University of Iceland / /
IndustryTerm
eV potential energy / energy barrier / dissociation energy barrier / energy conservation / transition-metal atom / minimum-energy paths / Energy barriers / subsurface site / gas phase molecule / chemical reaction / Energy !eV / unoccupied surface site / eV plane-wave energy cutoff / lowest energy / Energy differences / surface-adsorbed methyl / energy / energy minimum corresponding / chemical reactions / adjacent hcp hollow site / hydrogen-metal binding / classical activation energy barrier / zero-point energy / average energy / desorption energy / gas pressure / potential energy / thermal systems / conjugate-gradient algorithm / high-energy / transition metal / vibrational energy / energy surface corresponding / activation energy / chemicals / gas phase / calculated binding energy / adjacent surface site / energy cutoff / adjacent subsurface site / energy decay time / minimum-energy path / d-band electron energy / experimental binding energy / on-top site / energy relaxation time / high translational kinetic energy / threefold site / thermal energy / local energy release / metal surface / translational energy / hcp site / saddlepoint energy / energy difference / zero-point energy correction / saddle-point energy / adsorbed methyl / energy partitioning / minimum-energy path breaks / surface fcc site / lowest-energy hollow site / excess kinetic energy / lowest-energy configuration / methyl groups / kinetic energy / vacant surface site / barrier energy / methyl / bridge site / unoccupied hollow site / hollow site / internal energy / converged minimum-energy path / surface site / energy profile / metal surfaces / low-energy characteristic / high energy / methane gas / activation energy barrier / Block-averaged kinetic energy / plane-wave energy cutoff / energy surface / model energy landscape fit / /
Organization
Faculty of Science / American Institute of Physics / U.S. Department of Energy / University of Texas at Austin / RANNIS / U.S. Securities and Exchange Commission / Federal Communications Commission / University of Washington / Seattle / Andri Arnaldsson Department of Chemistry / Hannes Jónsson Department of Chemistry / Division of Materials Research / Robert A. Welch Foundation / Icelandic Center for Research / Department of Chemistry and Biochemistry / University of Iceland / /
THE JOURNAL OF CHEMICAL PHYSICS 124, 044706 !2006" Theoretical calculations of CH4 and H2 associative desorption from Ni„111…: Could subsurface hydrogen play an important role? Graeme Henkelmana!