William Hase

Texas Tech University

Projects

Obtaining accurate energetics for gas-phase bimolecular nucleophilic substitution (SN2) reactions.

Lead Institution

Texas Technical University

Principal Investigator

William Hase

Project type

Limited Scope

There is considerable interest in understanding the atomic-level dynamics of gas-phase bimolecular nucleophilic substitution (SN2) reactions of the type X- + CH3Y â??…

(gc3566)Direct Dynamics Simulations: From Molecules to Macromolecules and Condensed Phases

Lead Institution

Texas Technical University

Principal Investigator

William Hase

Project type

Capability Research

Time dependent atomic-level simulations will be used to study a series of chemical reactions to address a number of important environmental problems and research needs. The traditional approach for…

EMSL CAT IN ANALYTICAL MASS SPECTROMETRY

Lead Institution

Purdue University

Principal Investigator

Julia Laskin

The general objective of our research is to achieve a fundamental understanding of the reaction kinetics and dynamics of activating and dissociating complex molecular ions. These processes are the…