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Chemistry

D-Index
66
Citations
14203
World Ranking
7363
National Ranking
2179

Overview

Wesley D. Allen is affiliated with the University of Georgia in the United States, with research contributions spanning the fields of chemistry and physics and astronomy. Their work focuses significantly on advanced chemical physics studies and includes specific investigations in catalysis and oxidation reactions, atmospheric chemistry and aerosols, molecular spectroscopy and structure, as well as neurological diseases and metabolism.

Research themes explored by Wesley D. Allen encompass:

  • Advanced Chemical Physics Studies
  • Catalysis and Oxidation Reactions
  • Atmospheric chemistry and aerosols
  • Molecular Spectroscopy and Structure
  • Neurological diseases and metabolism
  • Asymmetric Hydrogenation and Catalysis
  • Asymmetric Synthesis and Catalysis

The scientist has published work in various peer-reviewed journals with recurring contributions in several key venues:

  • Physical Chemistry Chemical Physics
  • Journal of the American Chemical Society
  • Journal of Chemical Theory and Computation
  • The Journal of Chemical Physics
  • The FASEB Journal

Frequent collaborators of Wesley D. Allen include:

  • Henry F. Schaefer
  • Mitchell E. Lahm
  • Pascal Vermeeren
  • Marco Dalla Tiezza
  • M.E. Wolf

Key publications by Wesley D. Allen demonstrate a focus on both fundamental and applied chemical physics research. Notable papers include:

  • Fulminic acid: a quasibent spectacle, 2024, Physical Chemistry Chemical Physics
  • Tests of the DFT Ladder for the Fulminic Acid Challenge, 2025, Journal of the American Chemical Society
  • Pericyclic reaction benchmarks: hierarchical computations targeting CCSDT(Q)/CBS and analysis of DFT performance, 2022, Physical Chemistry Chemical Physics
  • Reaction Profiles and Kinetics for Radical-Radical Hydrogen Abstraction via Multireference Coupled Cluster Theory, 2020, Journal of Chemical Theory and Computation
  • Identification and Reactivity of s-cis,s-cis-Dihydroxycarbene, a New [CH2O2] Intermediate, 2020, Journal of the American Chemical Society

Best Publications

  • Psi4: an open-source ab initio electronic structure program

    Justin M. Turney;Andrew C. Simmonett;Robert M. Parrish;Edward G. Hohenstein

  • In pursuit of the ab initio limit for conformational energy prototypes

    Attila G. Császár;Wesley D. Allen;Henry F. Schaefer

  • A hierarchy of homodesmotic reactions for thermochemistry.

    Steven E. Wheeler;Kendall N. Houk;Paul v. R. Schleyer;Wesley D. Allen

  • A systematic study of molecular vibrational anharmonicity and vibration-rotation interaction by self-consistent-field higher-derivative methods. Linear polyatomic molecules

    Wesley D. Allen;Wesley D. Allen;Yukio Yamaguchi;Yukio Yamaguchi;Attila G. Császár;Attila G. Császár;D.Allen Clabo;D.Allen Clabo

  • The heat of formation of NCO

    Allan L. L. East;Wesley D. Allen

  • Methylhydroxycarbene: Tunneling Control of a Chemical Reaction

    Peter R. Schreiner;Hans Peter Reisenauer;David Ley;Dennis Gerbig

  • Toward subchemical accuracy in computational thermochemistry: focal point analysis of the heat of formation of NCO and [H,N,C,O] isomers.

    Michael S. Schuurman;Steven R. Muir;Wesley D. Allen;Henry F. Schaefer

  • Capture of hydroxymethylene and its fast disappearance through tunnelling

    Peter R. Schreiner;Hans Peter Reisenauer;Frank C. Pickard;Andrew C. Simmonett

  • PSI3: An open‐source Ab Initio electronic structure package

    T. Daniel Crawford;C. David Sherrill;Edward F. Valeev;Justin T. Fermann

  • Popular Theoretical Methods Predict Benzene and Arenes To Be Nonplanar

    Damian Moran;Andrew C. Simmonett;Franklin E. Leach;Wesley D. Allen

  • Coupling term derivation and general implementation of state-specific multireference coupled cluster theories

    Francesco A. Evangelista;Wesley D. Allen;Henry F. Schaefer

  • High-order excitations in state-universal and state-specific multireference coupled cluster theories: model systems.

    Francesco A. Evangelista;Wesley D. Allen;Henry F. Schaefer

  • Definitive Ab Initio Studies of Model SN2 Reactions CH3X+F− (X=F, Cl, CN, OH, SH, NH2, PH2)

    Jason M. Gonzales;Chaeho Pak;R. Sidney Cox;Wesley D. Allen

  • The torsional conformations of butane: Definitive energetics from ab initio methods

    Norman L. Allinger;Justin T. Fermann;Wesley D. Allen;Henry F. Schaefer

  • Is Mo/ller–Plesset perturbation theory a convergent ab initio method?

    Matthew L. Leininger;Wesley D. Allen;Henry F. Schaefer;C. David Sherrill

  • Geometrical structures, force constants, and vibrational spectra of SiH, SiH2, SiH3, and SiH4

    Wesley D. Allen;Henry F. Schaefer

  • On the ab initio determination of higher-order force constants at nonstationary reference geometries

    Wesley D. Allen;Attila G. Császár

  • Mechanism of the C2H5+O2 reaction

    Igor S. Ignatyev;Yaoming Xie;Wesley D. Allen;Henry F. Schaefer

  • Triple excitations in state-specific multireference coupled cluster theory: application of Mk-MRCCSDT and Mk-MRCCSDT-n methods to model systems.

    Francesco A. Evangelista;Andrew C. Simmonett;Wesley D. Allen;Henry F. Schaefer

  • Characterization of the X̃ 1A’ state of isocyanic acid

    Allan L. L. East;Christopher S. Johnson;Wesley D. Allen

Frequent Co-Authors

Henry F. Schaefer
Henry F. Schaefer University of Georgia
Attila G. Császár
Attila G. Császár Eötvös Loránd University
Peter R. Schreiner
Peter R. Schreiner University of Giessen
Steven E. Wheeler
Steven E. Wheeler University of Georgia
Stephen J. Klippenstein
Stephen J. Klippenstein Argonne National Laboratory
Walter Thiel
Walter Thiel Max Planck Society
C. David Sherrill
C. David Sherrill Georgia Institute of Technology
Peter Willett
Peter Willett University of Sheffield
T. Daniel Crawford
T. Daniel Crawford Virginia Tech
Jason Locklin
Jason Locklin University of Georgia

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