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2014 Mesilla Chemistry Workshop

February 1-4, 2014

"Tribute to Sally Chapman: Studies of the Chemical Dynamics of Energy Transfer and Chemical Reactions"


Bruce Garrett, Pacific Northwest National Laboratory, Richland, WA

Bill Hase, Department of Chemistry and Biochemistry, Texas Tech University

John Tully, Yale Department of Chemistry, Yale University

Meeting Site:

Sunday Sessions: Conference Room at the Comfort Inn and Suites  

Remaining Sessions: Double Eagle on the Mesilla Plaza  




New Mexico State University

Texas Tech University

The Robert Welch Foundation


Saturday, February 1
6:30 pm

Reception - La Posta Restaurant

Sunday, February 2

Session Chair: Bruce Garrett

8:25   Bill Hase

Welcome to the Workshop and Some Details

8:30   Veronica Bierbaum

Gas Phase Ion Chemistry: From Alpha Nucleophiles to Alpha Centauri

9:15   Tad Kleindienst

The Use of Gas- and Aerosol-Phase Molecular Markers to Help Evaluate Chemical Reactions of Relevance in the Troposphere

10:00   Coffee

10:30   Dina Merrer

Halocarbene Additions to Strained C-C Pi Bonds: Mechanistic Surprises

11:15   Hua Guo

Predicting Mode/Bond Selectivity and Energy Disposal in Bimolecular Reactions from the Sudden Perspective

Early afternoon free

2:30   Bill Miller

Semiclassical Approximations for Electronically Non-adiabatic Processes"

3:15   Hans Lischka

Challenges in Quantum Chemistry: the Calculation of Biradical and Polyradical Systems"

4:30   Super Bowl

Monday, February 3

Session Chair: John Tully

8:30   Frances Houle

Stochastic Simulations to Bridge Experiment and Theory of Complex Chemical Processes: Application to Aerosol Ageing

9:15   Barney Ellison

Climate Change and Renewable Energy

10:00   Coffee

10:30   Bill Hase

Energy Transfer and Chemical Reaction in Fragmentation of Peptide Ions

11:15   Jim Muckerman

Theoretical Studies of Chemical Reactions and Catalytic Reaction Mechanisms

Afternoon free

7:00   Amy Mullin

Collission Dynamics of Molecular Gyroscopes in an Optical Centrifuge

7:45   Veronica Vaida

Reactions on Water-Air Enviromental Interfaces

Tuesday, February 4

Session Chair: Bill Hase

8:30   John Tully

Two Mysterious Challenges to Chemical Rate Theory

9:15   Barbara Garrison

Molecular Dynamics Simulations, the Theoretical Partner to Cluster and Dynamic SIMS Experiments

10:00   Coffee

10:30   George Schatz

What do We do with Nonadiabatic Reactions when there are too Many Coupled States?

11:15   Adelia Aquino

Humic Substances (HS) models - Water and Cations Interacting with HS Nanopores

Early afternoon free

4:30   Dana Nachtigallova

The Effect of Dimerization on the Excited State Behavior of Methylated Xanthine Derivatives: A Computational Study

5:15   Bruce Garrett

H + H2: Is there anything New to Learn After 30 Years?

7:00   Banquet