Carbon dissolution and diffusion in ferrite and austenite from first principles von Jiang, D. E., Carter, Emily A.

Volltext

Structure, bonding, and adhesion at the TiC(100)/Fe(110) interface from first principles von Arya, A., Carter, Emily A.

Volltext

First-principles study of the surfaces of zirconia von Christensen, A., Carter, Emily A.

Volltext

Adhesion of ultrathin ZrO2(111) films on Ni(111) from first principles von Christensen, A., Carter, Emily A.

Volltext

In Vivo Confocal Raman Microspectroscopy of the Skin: Noninvasive Determination of Molecular Concentration Profiles von Caspers, Peter J., Bruining, Hajo A., Puppels, Gerwin J., Lucassen, Gerald W., Carter, Elizabeth A.

Volltext

Spin eigenstate-dependent Hartree—Fock molecular dynamics von Hartke, Bernd, Carter, Emily A.

Volltext

Solvation dynamics for an ion pair in a polar solvent: Time-dependent fluorescence and photochemical charge transfer von Carter, Emily A., Hynes, James T.

Volltext

SY3 - How Will Payers Manage the Cost of New, Advanced Biologic and Oncologic Agents as Therapy Areas Become Crowded with Drugs with Similar Mechanisms of Action? von Paglia, R, Del Carlo, A, Schwartz, J, Carter, EA

Volltext

Diffusion of interstitial hydrogen into and through bcc Fe from first principles von JIANG, D. E, CARTER, Emily A

Volltext

F2 reaction dynamics with defective Si(100) : defect-insensitive surface chemistry von CARTER, L. E, CARTER, E. A

Volltext

Chemisorption of oxygen, chlorine, hydrogen, hydroxide, and ethylene on silver clusters: A model for the olefin epoxidation reaction von Carter, Emily A., Goddard, William A.

Volltext

A method for estimating surface reaction energetics: Application to the mechanism of ethylene decomposition on Pt(111) von Carter, Emily A., Koel, Bruce E.

Volltext

A quantum-mechanically informed continuum model of hydrogen embrittlement von Serebrinsky, S., Carter, E.A., Ortiz, M.

Volltext

The surface atomic oxyradical mechanism for Ag-catalyzed olefin epoxidation von Carter, Emily A., Goddard, William A.

Volltext

Breakdown of the pseudopotential approximation for magnetic systems: Predicting magnetic quenching at the V(001) surface with spin-dependent pseudopotentials von Cocula, Vincent, Carter, Emily A.

Volltext

Oligoacenes:  Theoretical Prediction of Open-Shell Singlet Diradical Ground States von Bendikov, Michael, Duong, Hieu M, Starkey, Kyle, Houk, K. N, Carter, Emily A, Wudl, Fred

Volltext

First principles assessment of ideal fracture energies of materials with mobile impurities: implications for hydrogen embrittlement of metals von Jiang, D.E., Carter, Emily A.

Volltext

Ab initio molecular dynamics simulated annealing at the generalized valence bond level. Application to a small nickel cluster von Hartke, Bernd, Carter, Emily A.

Volltext

The technological and economic prospects for CO2 utilization and removal von Hepburn, C, Adlen, E, Beddington, J, Carter, EA, Fuss, S, Mac Dowell, N, Minx, JC, Smith, P, Williams, CK

Volltext

Carbon atom adsorption on and diffusion into Fe(110) and Fe(100) from first principles von JIANG, D. E, CARTER, Emily A

Volltext