S. A. Wasileski

发表

Modeling Electrocatalytic Reaction Systems from First Principles

M. Neurock, S. Wasileski, C. Taylor, 2009 .

Some interpretations of surface vibrational spectroscopy pertinent to fuel-cell electrocatalysis

M. J. Weaver, S. Wasileski, Sungho V. Park, 2002 .

Vibrational spectroscopy as a probe of potential-dependent electrode-chemisorbate bonding: an assessment using finite-cluster density functional theory

M. J. Weaver, S. Wasileski, S. A. Wasileski, 2002 .

A first-principles study of molecular oxygen dissociation at an electrode surface: a comparison of potential variation and coadsorption effects.

M. Janik, S. Wasileski, S. A. Wasileski, 2008, Physical chemistry chemical physics : PCCP.

Field-dependent electrode-chemisorbate bonding: sensitivity of vibrational stark effect and binding energetics to nature of surface coordination.

M. J. Weaver, M. Koper, S. Wasileski, 2002, Journal of the American Chemical Society.

Field-Dependent Chemisorption of Carbon Monoxide on Platinum-Group (111) Surfaces: Relationships between Binding Energetics, Geometries, and Vibrational Properties as Assessed by Density Functional Theory

M. J. Weaver, M. Koper, S. Wasileski, 2001 .

Field-dependent chemisorption of carbon monoxide and nitric oxide on platinum-group (111) surfaces: Quantum chemical calculations compared with infrared spectroscopy at electrochemical and vacuum-based interfaces

R. A. Santen, M. J. Weaver, M. Koper, 2000 .

Mechanisms of methanol decomposition on platinum: A combined experimental and ab initio approach.

A. Wiȩckowski, G. Lu, M. Neurock, 2005, The journal of physical chemistry. B.

Electrochemical Infrared Characterization of Carbon-Supported Platinum Nanoparticles: A Benchmark Structural Comparison with Single-Crystal Electrodes and High-Nuclearity Carbonyl Clusters

M. J. Weaver, S. Wasileski, Sungho V. Park, 2001 .

First principles reaction modeling of the electrochemical interface: Consideration and calculation of a tunable surface potential from atomic and electronic structure

Matthew Neurock, Christopher D. Taylor, M. Neurock, 2006 .

Potential-dependent chemisorption of carbon monoxide on platinum electrodes: new insight from quantum-chemical calculations combined with vibrational spectroscopy

M. J. Weaver, M. Koper, S. Wasileski, 2001 .

Electronic structure models of oxygen adsorption at the solvated, electrified Pt(111) interface.

M. Janik, S. Wasileski, Kuan-Yu Yeh, 2009, Physical chemistry chemical physics : PCCP.

From First Principles to Catalytic Performance: Tracking Molecular Transformations

Donghai Mei, M. Neurock, S. Wasileski, 2004 .