[Pd.sub.n]CO : Accurate ab initio bond energies, geometries, and dipole moments and the applicability of density functional theory for fuel cell modeling

Journal article

Nathan E Schultz, Benjamin F Gherman, Christopher J Cramer and Donald G Truhlar

The journal of physical chemistry. B, Vol.110(47), p.24030

11/30/2006

Abstract

Usage

Density functionals

Palladium

Chemical properties

Carbon monoxide

Electric properties

2 Record Views

Title: [Pd.sub.n]CO : Accurate ab initio bond energies, geometries, and dipole moments and the applicability of density functional theory for fuel cell modeling
Creators: Nathan E Schultz
Benjamin F Gherman
Christopher J Cramer
Donald G Truhlar
Academic Unit: Chemistry Department
Publisher: American Chemical Society
Publication Details: 11/30/2006
Identifiers: 99257874779301671
Language: English