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Chemistry

D-Index
69
Citations
51864
World Ranking
6066
National Ranking
1844

Overview

Thom H. Dunning is affiliated with the University of Washington in the United States and specializes in the fields of chemistry and physics and astronomy. Their research covers key areas such as advanced chemical physics studies, molecular spectroscopy and structure, spectroscopy and quantum chemical studies, crystallography and molecular interactions, various chemistry research topics, history and advancements in chemistry, and photochemistry and electron transfer studies.

The scientist has contributed significantly to atomic and molecular physics, and optics, along with physical and theoretical chemistry, spectroscopy, materials chemistry, and organic chemistry. These subfields reflect the diverse nature of their investigation and expertise.

The research output includes papers published in several reputable venues, with frequent contributions to:

  • The Journal of Chemical Physics
  • The Journal of Physical Chemistry A
  • Journal of Computational Chemistry
  • Philosophical Transactions of the Royal Society A Mathematical Physical and Engineering Sciences
  • Chemical Reviews

Recent notable papers authored or co-authored by Thom H. Dunning are:

  • Spin-Coupled Generalized Valence Bond Theory: New Perspectives on the Electronic Structure of Molecules and Chemical Bonds, 2021, The Journal of Physical Chemistry A
  • The nature of the chemical bond, 2023, The Journal of Chemical Physics
  • Exascale applications: skin in the game, 2020, Philosophical Transactions of the Royal Society A Mathematical Physical and Engineering Sciences
  • From NWChem to NWChemEx: Evolving with the Computational Chemistry Landscape, 2021, Chemical Reviews
  • Valence Bond and Molecular Orbital: Two Powerful Theories that Nicely Complement One Another, 2021, Journal of Chemical Education

Collaborations with other researchers include frequent coauthors such as Lu T. Xu, David L. Cooper, Peter B. Karadakov, Mark S. Gordon, and Theresa L. Windus.

Besides articles, Thom H. Dunning has contributed to book publications, including the work published by Springer Science+Business Media entitled Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile (2021).

Best Publications

  • Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functions

    Rick A. Kendall;Thom H. Dunning;Robert J. Harrison

  • Gaussian Basis Functions for Use in Molecular Calculations. III. Contraction of (10s6p) Atomic Basis Sets for the First‐Row Atoms

    Thom. H. Dunning

  • Gaussian basis sets for use in correlated molecular calculations. V. Core-valence basis sets for boron through neon

    David E. Woon;Thom H. Dunning

  • Accurate correlation consistent basis sets for molecular core–valence correlation effects: The second row atoms Al–Ar, and the first row atoms B–Ne revisited

    Kirk A. Peterson;Thom H. Dunning

  • Benchmark calculations with correlated molecular wave functions. IV. The classical barrier height of the H+H2→H2+H reaction

    Kirk A. Peterson;David E. Woon;Thom H. Dunning

  • Gaussian basis sets for use in correlated molecular calculations. X. The atoms aluminum through argon revisited

    Thom H. Dunning;Kirk A. Peterson;Angela K. Wilson

  • Gaussian basis sets for use in correlated molecular calculations. VI. Sextuple zeta correlation consistent basis sets for boron through neon

    Angela K. Wilson;Tanja van Mourik;Thom H. Dunning

  • Ab initio studies of cyclic water clusters (H2O)n, n=1–6. I. Optimal structures and vibrational spectra

    Sotiris S. Xantheas;Thom H. Dunning

  • The International Exascale Software Project roadmap

    Jack Dongarra;Pete Beckman;Terry Moore;Patrick Aerts

  • Gaussian basis sets for use in correlated molecular calculations. VII. Valence, core-valence, and scalar relativistic basis sets for Li, Be, Na, and Mg

    Brian P. Prascher;David E. Woon;Kirk A. Peterson;Thom H. Dunning

  • NWChem: Past, Present, and Future

    E. Aprà;E. J. Bylaska;W. A. de Jong;N. Govind

  • NWChem: Past, present, and future

    E. Aprà;E. J. Bylaska;W. A. de Jong;N. Govind

  • Generalized valence bond description of bonding in low-lying states of molecules

    William A. Goddard;Thom H. Dunning;William J. Hunt;P. Jeffrey Hay

  • Gaussian Basis Functions for Use in Molecular Calculations. IV. The Representation of Polarization Functions for the First Row Atoms and Hydrogen

    Thom. H. Dunning

  • BENCHMARK CALCULATIONS WITH CORRELATED MOLECULAR WAVE FUNCTIONS. VII: BINDING ENERGY AND STRUCTURE OF THE HF DIMER

    Kirk A. Peterson;Thom H. Dunning

  • Benchmark calculations with correlated molecular wavefunctions. XIII. Potential energy curves for He2, Ne2 and Ar2 using correlation consistent basis sets through augmented sextuple zeta

    Van Tonja Mourik;Angela K. Wilson;Thomas H. Dunning

  • Benchmark calculations with correlated molecular wave functions. II. Configuration interaction calculations on first row diatomic hydrides

    Kirk A. Peterson;Rick A. Kendall;Thom H. Dunning

  • Nonempirical Calculations on Excited States: The Ethylene Molecule

    Thom. H. Dunning;Vincent McKoy

  • Benchmark calculations with correlated molecular wave functions. I: Multireference configuration interaction calculations for the second row diatomic hydrides

    David E. Woon;Thom H. Dunning

  • A theoretical study of the potential energy surface for OH+H2

    Stephen P. Walch;Thom. H. Dunning

Frequent Co-Authors

Kirk A. Peterson
Kirk A. Peterson Washington State University
Sotiris S. Xantheas
Sotiris S. Xantheas Pacific Northwest National Laboratory
Angela K. Wilson
Angela K. Wilson Michigan State University
William A. Goddard
William A. Goddard California Institute of Technology
Donald G. Truhlar
Donald G. Truhlar University of Minnesota
Martin Zacharias
Martin Zacharias Technical University of Munich
Yan Zhao
Yan Zhao Wuhan University of Technology
Lasse Jensen
Lasse Jensen Pennsylvania State University
George C. Schatz
George C. Schatz Northwestern University

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