David H Bross

18PUBLICATIONS
32CO-AUTHORS
Data structures and algorithmsCatalysis and mechanisms of reactionsTheoretical quantum chemistryLasers and quantum electronicsChemical and thermal processes in energy and combustion
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Publications (18)

|Sep 03, 2026
A Perspective on Active Thermochemical Tables as Critical Data Infrastructure for Theory, Validation, and Artificial Intelligence in Chemical Sciences.

|May 20, 2026
Mechanism, Thermochemistry, and Kinetics for the CH + N2 Reaction Leading to Prompt NO Formation in Combustion.

|Jan 26, 2026
Reducing the Cost of CCSD Basis Set Extrapolation in Ab Initio Computational Thermochemistry.

James H Thorpe, Peter R Franke, John F Stanton

|Apr 04, 2025
Discrepancies between Theory and Experiment in Determining the Ionization Energy of NF3.

Megan R Bentley, Peter R Franke, Kaila E Weflen

|Nov 29, 2024
Unifying thermochemistry concepts in computational heterogeneous catalysis.

Bjarne Kreitz, Gabriel S Gusmão, Dingqi Nai

|Sep 20, 2024
Accurate and reliable thermochemistry by data analysis of complex thermochemical networks using Active Thermochemical Tables: the case of glycine thermochemistry.

Branko Ruscic, David H Bross

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Frequent Collaborators

16 joint publications

Branko Ruscic

6 joint publications

John F Stanton

4 joint publications

Thanh Lam Nguyen

3 joint publications

G Barney Ellison