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D-Index & Metrics

Chemistry

D-Index
79
Citations
23163
World Ranking
3593
National Ranking
203

Research.com Recognitions

  • 2010 - Liversidge Award, Royal Society of Chemistry (UK)
  • 2004 - Polanyi Medal, Royal Society of Chemistry (UK)
  • 2003 - Fellow of the American Academy of Arts and Sciences
  • 2002 - Fellow of American Physical Society (APS) Citation For his elegant and pioneering theoretical contributions to the fields of intermolecular interactions, collisional energy transfer, cluster spectroscopy, and chemical reaction dynamics at the quantum statetostate level
  • 2002 - Fellow of the American Association for the Advancement of Science (AAAS)
  • 1997 - Tilden Prize, Royal Society of Chemistry (UK)
  • 1997 - Fellow of the Royal Society, United Kingdom
  • 1989 - Corday–Morgan Prize, Royal Society of Chemistry (UK)
  • 1986 - Marlow Award, Royal Society of Chemistry (UK)
  • 1981 - Meldola Medal and Prize, Royal Society of Chemistry (UK)

Overview

David C. Clary is affiliated with the University of Oxford in the United Kingdom, with a research focus primarily in the field of chemistry. Their work spans multiple subfields including spectroscopy, atomic and molecular physics, optics, history and philosophy of science, organic chemistry, and atmospheric science.

Clary's research topics cover a range of areas such as spectroscopy and quantum chemical studies, molecular spectroscopy and chirality, philosophy, science, and history, spectroscopy and laser applications, astrophysics and star formation studies, fullerene chemistry and applications, and atmospheric ozone and climate.

Among frequent co-authors are Shan Xiao, I. García-Bernete, Boutheïna Kerkeni, P. F. Roche, and Vincenzo Barone.

They have contributed to publications in venues including:

  • Monthly Notices of the Royal Astronomical Society
  • Chemical Physics Letters
  • Nature Reviews Methods Primers
  • Journal of Chemical Theory and Computation
  • Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy

Notable recent papers authored by Clary include:

  • "Computational molecular spectroscopy," 2021, Nature Reviews Methods Primers
  • "The properties of polycyclic aromatic hydrocarbons in galaxies: constraints on PAH sizes, charge and radiation fields," 2021, Monthly Notices of the Royal Astronomical Society
  • "Analytic Route to Tunneling Splittings Using Semiclassical Perturbation Theory," 2020, Journal of Chemical Theory and Computation
  • "Probing computational methodologies in predicting mid-infrared spectra for large polycyclic aromatic hydrocarbons," 2022, Monthly Notices of the Royal Astronomical Society
  • "Computational analyses of the vibrational spectra of fentanyl, carfentanil and remifentanil," 2021, Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy

Clary has also contributed to book publications, including works published by World Scientific and WORLD SCIENTIFIC (EUROPE) eBooks. Titles include "Schrödinger in Oxford" (2021), "Walter Kohn" (2024), and "The Lost Scientists of World War II" (2023).

Their career has been recognized with various awards, such as the Liversidge Award (2010), Polanyi Medal (2004), and the Tilden Prize (1997), all from the Royal Society of Chemistry (UK). Other accolades include Fellowship of the American Academy of Arts and Sciences (2003), the American Physical Society (2002), the American Association for the Advancement of Science (2002), and the Royal Society (UK) (1997). Earlier honors include the Corday-Morgan Prize (1989), Marlow Award (1986), and Meldola Medal and Prize (1981), all from the Royal Society of Chemistry (UK).

Best Publications

  • Definition of the hydrogen bond (IUPAC Recommendations 2011)

    Elangannan Arunan;Gautam R. Desiraju;Roger A. Klein;Joanna Sadlej

  • Defining the hydrogen bond: An account (IUPAC Technical Report)

    Elangannan Arunan;Gautam R. Desiraju;Roger A. Klein;Joanna Sadlej

  • The Water Dipole Moment in Water Clusters

    J. K. Gregory;D. C. Clary;K. Liu;M. G. Brown

  • Characterization of a cage form of the water hexamer

    K. Liu;M. G. Brown;C. Carter;R. J. Saykally

  • Potential optimized discrete variable representation

    Julián Echave;David C. Clary

  • Quantum scattering calculations on chemical reactions.

    Stuart C. Althorpe;David C. Clary

  • Structure of Water Clusters. The Contribution of Many-Body Forces, Monomer Relaxation, and Vibrational Zero-Point Energy

    Jonathon K. Gregory;David C. Clary

  • FAST CHEMICAL REACTIONS: Theory Challenges Experiment

    D C Clary

  • Rates of chemical reactions dominated by long-range intermolecular forces

    D.C. Clary

  • Quantum reactive scattering of four‐atom reactions with nonlinear geometry: OH+H2→H2O+H

    David C. Clary

  • Predicting Catalysis: Understanding Ammonia Synthesis from First-Principles Calculations

    A Hellman;E.J. Baerends;M Biczysko;T Bligaard

  • Calculations of rate constants for ion-molecule reactions using a combined capture and centrifugal sudden approximation

    D.C. Clary

  • FOUR-ATOM REACTION DYNAMICS

    David C. Clary

  • Quantum theory of chemical reaction dynamics

    David C. Clary

  • Interaction of HCl with water clusters: (H2O)nHCl, n = 1-3

    Martin J. Packer;David C. Clary

  • Calculations of the tunneling splittings in water dimer and trimer using diffusion Monte Carlo

    Jonathon K. Gregory;David C. Clary

  • Computational molecular spectroscopy

    Vincenzo Barone;Silvia Alessandrini;Malgorzata Biczysko;James R. Cheeseman

  • Sticking of hydrogen chloride and chlorine hydroxide to ice: a computational study

    Geert Jan Kroes;David C. Clary

  • Combining ab initio computations, neural networks, and diffusion Monte Carlo: An efficient method to treat weakly bound molecules

    David F. R. Brown;Mark N. Gibbs;David C. Clary

  • A quantum model Hamiltonian to treat reactions of the type X+YCZ3→XY+CZ3: Application to O(3P)+CH4→OH+CH3

    Juliana Palma;David C. Clary

  • Temperature dependence of rate coefficients for reactions of ions with dipolar molecules

    D.C. Clary;D. Smith;N.G. Adams

  • The energy landscape as a unifying theme in molecular science. Discussion

    David J. Wales;D. C. Clary;J. C. Schön;P. G. Wolynes

Frequent Co-Authors

Thomas F. Miller
Thomas F. Miller California Institute of Technology
David J. Nesbitt
David J. Nesbitt University of Colorado Boulder
Sarah L. Price
Sarah L. Price University College London
Marsha I. Lester
Marsha I. Lester University of Pennsylvania
Jeremy M. Hutson
Jeremy M. Hutson Durham University
David Smith
David Smith University of Oxford
Hans-Joachim Werner
Hans-Joachim Werner University of Stuttgart
Robert H. Crabtree
Robert H. Crabtree Yale University
Gautam R. Desiraju
Gautam R. Desiraju Indian Institute of Science
Ibon Alkorta
Ibon Alkorta Spanish National Research Council

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