David H Bross

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 15

Top Venues

The journal of physical chemistry. A

Physical chemistry chemical physics : PCCP

Faraday discussions

The journal of physical chemistry letters

Argonne National Laboratory

Washington State University (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Argonne National Laboratory

United States

Assistant Chemist :: Chemical Sciences and Engineering

Argonne National Laboratory

United States

Postdoctoral Appointee :: Chemical Sciences and Engineering Division

Education History

Washington State University

United States

PHD :: Chemistry

Publications

Katrín Blöndal, Kirk Badger, Khachik Sargsyan, David H Bross, Branko Ruscic, C Franklin Goldsmith
Importance sampling within configuration space integration for adsorbate thermophysical properties: a case study for CH 3 /Ni(111). Physical chemistry chemical physics : PCCP 26 (24) (2024)
Branko Ruscic, David H Bross
Accurate and reliable thermochemistry by data analysis of complex thermochemical networks using Active Thermochemical Tables: the case of glycine thermochemistry. Faraday discussions (2024)
Katrín Blöndal, Kirk Badger, Khachik Sargsyan, David H Bross, Branko Ruscic, C Franklin Goldsmith
Importance sampling within configuration space integration for adsorbate thermophysical properties: a case study for CH 3 /Ni(111). Physical chemistry chemical physics : PCCP (2024)
Thanh Lam Nguyen, Jozef Peeters, Jean-François Müller, Ajith Perera, David H Bross, Branko Ruscic, John F Stanton
Methanediol from cloud-processed formaldehyde is only a minor source of atmospheric formic acid. Proceedings of the National Academy of Sciences of the United States of America 120 (48) (2023)
Matthew S Johnson, Maciej Gierada, Eric D Hermes, David H Bross, Khachik Sargsyan, Habib N Najm, Judit Zádor
Pynta─An Automated Workflow for Calculation of Surface and Gas-Surface Kinetics. Journal of chemical information and modeling (2023)
David H Bross, George B Bacskay, Kirk A Peterson, Branko Ruscic
Active Thermochemical Tables: Enthalpies of Formation of Bromo- and Iodo-Methanes, Ethenes and Ethynes. The journal of physical chemistry. A 127 (3) (2023)
David H Bross, George B Bacskay, Kirk A Peterson, Branko Ruscic
Active Thermochemical Tables: Enthalpies of Formation of Bromo- and Iodo-Methanes, Ethenes and Ethynes. The journal of physical chemistry. A (2023)
James H Thorpe, David Feller, David H Bross, Branko Ruscic, John F Stanton
Sub 20 cm -1 computational prediction of the CH bond energy - a case of systematic error in computational thermochemistry. Physical chemistry chemical physics : PCCP (2022)
Thanh Lam Nguyen, David H Bross, Branko Ruscic, G Barney Ellison, John F Stanton
Mechanism, thermochemistry, and kinetics of the reversible reactions: C 2 H 3 + H 2 ⇌ C 2 H 4 + H ⇌ C 2 H 5 . Faraday discussions 238 (0) (2022)
Daniel P Zaleski, Raghu Sivaramakrishnan, Hailey R Weller, Nathan A Seifert, David H Bross, Branko Ruscic, Kevin B Moore, Sarah N Elliott, Andreas V Copan, Lawrence B Harding, Stephen J Klippenstein, Robert W Field, Kirill Prozument
Substitution Reactions in the Pyrolysis of Acetone Revealed through a Modeling, Experiment, Theory Paradigm. Journal of the American Chemical Society 143 (8) (2021)
David H Bross, Hua-Gen Yu, Lawrence B Harding, Branko Ruscic
Active Thermochemical Tables: The Partition Function of Hydroxymethyl (CH2OH) Revisited. The journal of physical chemistry. A 123 (19) (2019)
Bradley K Welch, Richard Dawes, David H Bross, Branko Ruscic
An Automated Thermochemistry Protocol Based on Explicitly Correlated Coupled-Cluster Theory: The Methyl and Ethyl Peroxy Families. The journal of physical chemistry. A 123 (26) (2019)
David Feller, David H Bross, Branko Ruscic
Enthalpy of Formation of C2H2O4 (Oxalic Acid) from High-Level Calculations and the Active Thermochemical Tables Approach. The journal of physical chemistry. A 123 (16) (2019)
Thanh Lam Nguyen, James H Thorpe, David H Bross, Branko Ruscic, John F Stanton
Unimolecular Reaction of Methyl Isocyanide to Acetonitrile: A High-Level Theoretical Study. The journal of physical chemistry letters 9 (10) (2018)
P Bryan Changala, Thanh Lam Nguyen, Joshua H Baraban, G Barney Ellison, John F Stanton, David H Bross, Branko Ruscic
Active Thermochemical Tables: The Adiabatic Ionization Energy of Hydrogen Peroxide. The journal of physical chemistry. A 121 (46) (2017)

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Publication Activity (10 Years)

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David H Bross