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Chemistry
USA
2026

D-Index & Metrics

Chemistry

D-Index
142
Citations
101743
World Ranking
186
National Ranking
88

Research.com Recognitions

  • 2026 - Research.com Chemistry in United States Leader Award
  • 2025 - Research.com Chemistry in United States Leader Award
  • 2004 - Fellow of the American Academy of Arts and Sciences
  • 2002 - Fellow of the American Association for the Advancement of Science (AAAS)
  • 1992 - Centenary Prize, Royal Society of Chemistry (UK)
  • 1977 - Fellow of American Physical Society (APS)

Overview

Henry F. Schaefer is affiliated with the University of Georgia in the United States. Their research spans multiple fields, with a primary focus on chemistry and physics and astronomy. The work covers subfields such as organic chemistry, atomic and molecular physics and optics, inorganic chemistry, atmospheric science, and materials chemistry.

The scientist's main topics of research include:

  • Advanced Chemical Physics Studies
  • Atmospheric chemistry and aerosols
  • N-Heterocyclic Carbenes in Organic and Inorganic Chemistry
  • Atmospheric Ozone and Climate
  • Free Radicals and Antioxidants
  • Synthesis and characterization of novel inorganic/organometallic compounds
  • Spectroscopy and Quantum Chemical Studies

Frequent publication venues for their work are:

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

Selected recent papers include:

  • P SI4 1.4: Open-source software for high-throughput quantum chemistry, 2020, The Journal of Chemical Physics
  • Automated theoretical chemical kinetics: Predicting the kinetics for the initial stages of pyrolysis, 2020, Proceedings of the Combustion Institute
  • Reduction of Dinitrogen via 2,3'-Bipyridine-Mediated Tetraboration, 2020, 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
  • Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs, 2021, The Journal of Chemical Physics

Frequent collaborators in research include:

  • Justin M. Turney
  • Yaoming Xie
  • Gregory H. Robinson
  • Yuzhong Wang
  • Pingrong Wei

Throughout their career, Henry F. Schaefer has been recognized with several awards, including:

  • Fellow of the American Academy of Arts and Sciences, 2004
  • Fellow of the American Association for the Advancement of Science (AAAS), 2002
  • Centenary Prize, Royal Society of Chemistry (UK), 1992
  • Fellow of American Physical Society (APS), 1977

Best Publications

  • Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

    Yihan Shao;Zhengting Gan;Evgeny Epifanovsky;Andrew T. B. Gilbert

  • Advances in methods and algorithms in a modern quantum chemistry program package

    Yihan Shao;Laszlo Fusti Molnar;Yousung Jung;Jörg Kussmann

  • Methods of Electronic Structure Theory

    Henry F. Schaefer

  • An efficient reformulation of the closed‐shell coupled cluster single and double excitation (CCSD) equations

    Gustavo E. Scuseria;Curtis L. Janssen;Henry F. Schaefer

  • Is coupled cluster singles and doubles (CCSD) more computationally intensive than quadratic configuration interaction (QCISD)

    Gustavo E. Scuseria;Henry F. Schaefer

  • Atomic and molecular electron affinities: photoelectron experiments and theoretical computations.

    Jonathan C. Rienstra-Kiracofe;Gregory S. Tschumper;Henry F. Schaefer;Sreela Nandi

  • Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability

    Robert M. Parrish;Lori A. Burns;Daniel G. A. Smith;Andrew C. Simmonett

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

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

  • An Introduction to Coupled Cluster Theory for Computational Chemists

    T. Daniel Crawford;Henry F. Schaefer

  • Encyclopedia of computational chemistry

    Peter R. Schreiner;Norman L. Allinger;Terry W. Clark;Johann Gasteiger

  • On the evaluation of analytic energy derivatives for correlated wave functions

    Nicholas C. Handy;Henry F. Schaefer

  • Psi4 1.4: Open-source software for high-throughput quantum chemistry

    Daniel G. A. Smith;Lori A. Burns;Andrew C. Simmonett;Robert M. Parrish

  • Extensive theoretical studies of the hydrogen‐bonded complexes (H2O)2, (H2O)2H+, (HF)2, (HF)2H+, F2H−, and (NH3)2

    Michael J. Frisch;Janet E. Del Bene;J. Stephen Binkley;Henry F. Schaefer

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

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

  • A new implementation of the full CCSDT model for molecular electronic structure

    Gustavo E. Scuseria;Henry F. Schaefer

  • A stable silicon(0) compound with a Si=Si double bond.

    Yuzhong Wang;Yaoming Xie;Pingrong Wei;R. Bruce King

  • The Configuration Interaction Method: Advances in Highly Correlated Approaches

    C. David Sherrill;Henry F. Schaefer

  • The C2H5 + O2 Reaction Mechanism: High-Level ab Initio Characterizations

    Jonathan C. Rienstra-Kiracofe,†,‡;and Wesley D. Allen;Henry F. Schaefer

  • A stable, neutral diborene containing a B=B double bond.

    Yuzhong Wang;Brandon Quillian;Pingrong Wei;Chaitanya S. Wannere

  • Analytic evaluation of energy gradients for the single and double excitation coupled cluster (CCSD) wave function: Theory and application

    Andrew C. Scheiner;Gustavo E. Scuseria;Julia E. Rice;Timothy J. Lee

Frequent Co-Authors

Yaoming Xie
Yaoming Xie University of Georgia
Yukio Yamaguchi
Yukio Yamaguchi University of Georgia
Wesley D. Allen
Wesley D. Allen University of Georgia
Paul v. R. Schleyer
Paul v. R. Schleyer University of Georgia
Gregory H. Robinson
Gregory H. Robinson University of Georgia
Peter R. Schreiner
Peter R. Schreiner University of Giessen
C. David Sherrill
C. David Sherrill Georgia Institute of Technology
Gustavo E. Scuseria
Gustavo E. Scuseria Rice University
Holger F. Bettinger
Holger F. Bettinger University of Tübingen
Timothy J. Lee
Timothy J. Lee Ames Research Center

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