Carter, Emily A. - Department of Mechanical and Aerospace Engineering, Princeton University

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• First-principles characterization of Ni diffusion kinetics in -NiAl Kristen A. Marino1 and Emily A. Carter2
• Rotationally invariant ab initio evaluation of Coulomb and exchange parameters for DFT+U calculations
• Linear scaling multireference singles and doubles configuration interaction Tsz S. Chwee,1
• Structure of and ion segregation to an alumina grain boundary: Implications for growth and creep
• Ab Initio Explanation of Tunneling Line Shapes for the Kondo Impurity State
• Embedded Configuration Interaction Description of CO on Cu(111): Resolution of the Site Preference Conundrum
• Surface Science Letters Prediction of structure-dependent charge transfer rates for a Li
• Prediction of a Highly Activated State of CO Adsorbed on an Al/Fe(100) Bimetallic D. E. Jiang, and Emily A. Carter*,|
• A Nanoscale Mechanism of Fatigue in Ionic Solids
• Atomic origin of hysteresis during cyclic loading of Si due to bond rearrangements at the crack surfaces
• Prediction of strong adhesion at the MoSi2/Fe interface D.E. Jiang a
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• First principles study of H2S adsorption and dissociation D.E. Jiang a
• Adsorption, Diffusion, and Dissociation of H2S on Fe(100) from First Principles D. E. Jiang and Emily A. Carter*
• First principles assessment of ideal fracture energies of materials with mobile impurities: implications for hydrogen
• Oligoacenes: Theoretical Prediction of Open-Shell Singlet Diradical Ground States [J. Am. Chem. Soc.
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• Direct inversion in the iterative subspace-induced acceleration of the ridge method for finding transition states
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• 8144 J. Phys. Chem. 1994,98, 8144-8153 Bimetallic Thermochemistry: Perturbations in M-H and M-C Bonds Due to the Presence of M`
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• J. Am. Chem. SOC.1993, 115, 2357-2362 2357 Metal-Metal Bonding in Engel-Brewer Intermetallics
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• 8352 J. Phys. Chem. 1991, 95, 8352-8363 Ab InRio Thermochemistry for Unsaturated C2 Hydrocarbonst
• Solvation dynamics for an ion pair in a polar solvent: Time-dependent fluorescence and photochemical charge transfer
• J. Phys. Chem. 1991, 95, 2327-2339 2321 Interactlonsof NO and CO with Pd and Pt Atoms
• 2180 J. Am. Chem. SOC.1986, 108, 2180-2191 Bonding in Transition-Metal-Methylene Complexes. 2.
• Mechanism of enhanced broadening of the ionization level of Li outside transition metal surfaces
• Adsorption and diffusion energetics of hydrogen atoms on Fe(1 1 0) from first principles
• 2184 J . Phys. Chem. 1989, 93, 2184-2187 Other workers report charge transfer corresponding to a single
• Adhesion of ultrathin ZrO2,,111... films on Ni,,111... from first principles A. Christensena)
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• First-principles study of the surfaces of zirconia A. Christensen* and Emily A. Carter
• Ultrasoft spin-dependent pseudopotentials Vincent Cocula
• Organometallics 1988,7,675-686 675 addition of 10mL of hexane, and filteringto give 20 as an or-
• Quantum simulation of materials at micron scales and beyond Qing Peng,1
• Effects of segregating elements on the adhesive strength and structure of the a-Al2O3/b-NiAl interface
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• Effects of Alloying on the Chemistry of CO and H2S on Fe Surfaces D. E. Jiang
• Pseudospectral full configuration interaction Todd J. Martinez, Aseem Mehta, and Emily A. Carter
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• Adsorption of Al, O, Hf, Y, Pt, and S Atoms on r-Al2O3(0001) Berit Hinnemann and Emily A. Carter*,
• Carbon atom adsorption on and diffusion into Fe(110) and Fe(100) from first principles D. E. Jiang and Emily A. Carter
• Cholesky decomposition within local multireference singles and doubles configuration interaction
• J. Am. Chem. SOC.1990, 112, 5893-5895 5893 9.2 9.4 9.6 9.8 10.0 10.2
• J. Phys. Chem. 1987, 91, 4651-4652 4651 of niobium clusters with cyclohexene and 1,3-~yclohexadiene
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• Hybrid Density Functional Theory Predictions of Low-Temperature Dimethyl Ether Combustion Pathways. II. Chain-Branching Energetics and Possible Role of the Criegee
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• Tribute to William Andrew Goddard III Why do we honor Bill Goddard with this issue of The Journal
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• J. Am. Chem. SOC.1987, 109, 579-580 579 Acknowledgment. We thank the donors of the Petroleum
• Mo l e c u l a r Ph y s i c s , 1996, Vo l . 89, No . 5, 1265 1276 Generalized valence bond molecular dynamics at constant temperature
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• Interconversion Pathways of the Protonated -Ionone Schiff Base: An
• Use of Covalently-Bonded Ceramics in Jet Engine Thermal BarrierCoatings Emily A. Jarvis and Emily A. Carter
• Journal of the Mechanics and Physics of Solids 52 (2004) 24032430
• Multi-reference weak pairs local conguration interaction: ecient calculations of bond breaking
• Structure, bonding, and adhesion at the ZrC(1 0 0)/Fe(1 1 0) interface from first principles q
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• J. Phys. Chem. 1988, 92, 2109-2115 2109 Early-versus Late-Transition-Metal-Oxo Bonds: The Electronlc Structure of VO' and
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• Interatomic potentials for hydrogen in iron based on density functional theory Ashwin Ramasubramaniam*
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• Erratum: Pseudospectral full configuration interaction [J. Chem. Phys. 97, 1876 (1992)]
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• Oligoacenes: Theoretical Prediction of Open-Shell Singlet Diradical Ground Michael Bendikov,* Hieu M. Duong, Kyle Starkey, K. N. Houk,* Emily A. Carter,* and Fred Wudl*
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