Liem Dang

Molecular dynamics of aqueous NaNO3 and NaCl solutions: The surface propensity and thermodynamic properties of aqueous anions (Summer Research Institute, PNNL Scope #16248)

Lead Institution

University of California, Irvine

Principal Investigator

Barbara Finlayson-Pitts

Project type

Exploratory Research

Unique interface chemistry at the surface of sea-salt particles, comprised primarily of aqueous sodium chloride, has been postulated as an important source of photochemically active chlorine in the…

Theoretical characterization of H3O+ on the water - vapor interface (Summer Research Institute, PNNL Scope #16248)

Lead Institution

University of Pittsburgh

Principal Investigator

Kenneth Jordan

Project type

Exploratory Research

Proton transport plays an important role in biochemistry, chemistry and many other fields. Currently there are several high quality potential models for neutral water. However, the model potentials…

(gc1-2002)A Computational Approach to Understanding Aerosol Formation and Oxidant Chemistry in the Troposphere

Lead Institution

Purdue University

Principal Investigator

Joseph Francisco

Project type

Capability Research

An understanding of the mechanisms and kinetics of aerosol formation and ozone production in the troposphere are currently a high priority because they are recognized as two major effects of energy…

Computational chemical and materials science to study nanoscale surface reactivity and radiation resistance of metal oxides

Lead Institution

University of Minnesota

Principal Investigator

Joern Siepmann

Project type

Exploratory Research

This particular research in the Molecular Interactions and Transformations group is aimed at achieving a fundamental molecular level understanding of the generation, transport and fate of excited…

Projects

Molecular dynamics of aqueous NaNO3 and NaCl solutions: The surface propensity and thermodynamic properties of aqueous anions (Summer Research Institute, PNNL Scope #16248)

Theoretical characterization of H3O+ on the water - vapor interface (Summer Research Institute, PNNL Scope #16248)

(gc1-2002)A Computational Approach to Understanding Aerosol Formation and Oxidant Chemistry in the Troposphere

Computational chemical and materials science to study nanoscale surface reactivity and radiation resistance of metal oxides