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Chemistry

D-Index
57
Citations
27776
World Ranking
10908
National Ranking
2989

Overview

Paul C. Redfern is affiliated with Argonne National Laboratory in the United States. Their research primarily focuses on the field of engineering, with significant contributions to electrical and electronic engineering and materials chemistry. Additional work spans automotive engineering, computational theory and mathematics, and catalysis.

The scientist's published work includes a strong emphasis on battery materials and technologies. Key topics covered in their research include:

  • Advanced Battery Materials and Technologies
  • Advancements in Battery Materials
  • Advanced battery technologies research
  • Machine Learning in Materials Science
  • Advanced Battery Technologies Research
  • Computational Drug Discovery Methods
  • Ionic liquids properties and applications

Paul C. Redfern has authored several papers in prominent scientific journals. Notable recent publications include:

  • "A room temperature rechargeable Li 2 O-based lithium-air battery enabled by a solid electrolyte" (2023, Science)
  • "Origin of Unusual Acidity and Li+ Diffusivity in a Series of Water-in-Salt Electrolytes" (2020, The Journal of Physical Chemistry B)
  • "Quantum-Chemically Informed Machine Learning: Prediction of Energies of Organic Molecules with 10 to 14 Non-hydrogen Atoms" (2020, The Journal of Physical Chemistry A)
  • "Emergent solvation phenomena in non-aqueous electrolytes with multiple anions" (2023, Chem)
  • "Increasing Ionic Conductivity of Poly(ethylene oxide) by Reaction with Metallic Li" (2021, Advanced Energy and Sustainability Research)

The scientist frequently publishes in specific venues, including:

  • The Journal of Physical Chemistry A
  • ACS Applied Materials & Interfaces
  • Journal of The Electrochemical Society
  • Science
  • The Journal of Physical Chemistry B

Collaboration plays a notable role in their research productivity. Frequent co-authors include:

  • Larry A. Curtiss
  • Rajeev S. Assary
  • Anh T. Ngo
  • Lei Cheng
  • Naveen K. Dandu

Best Publications

  • Gaussian-3 (G3) theory for molecules containing first and second-row atoms

    Larry A. Curtiss;Krishnan Raghavachari;Paul C. Redfern;Vitaly Rassolov

  • Assessment of Gaussian-2 and density functional theories for the computation of enthalpies of formation

    Larry A. Curtiss;Krishnan Raghavachari;Paul C. Redfern;John A. Pople

  • 6-31G* basis set for third-row atoms

    Vitaly A. Rassolov;Mark A. Ratner;John A. Pople;Paul C. Redfern

  • Gaussian-4 theory

    Larry A. Curtiss;Paul C. Redfern;Krishnan Raghavachari

  • GAUSSIAN-3 THEORY USING DENSITY FUNCTIONAL GEOMETRIES AND ZERO-POINT ENERGIES

    Anwar G. Baboul;Larry A. Curtiss;Paul C. Redfern;Krishnan Raghavachari

  • Gaussian-3 theory using reduced Mo/ller-Plesset order

    Larry A. Curtiss;Paul C. Redfern;Krishnan Raghavachari;Vitaly Rassolov

  • Increased Silver Activity for Direct Propylene Epoxidation via Subnanometer Size Effects

    Y. Lei;Y. Lei;Faisal Mehmood;Sungsik Lee;Jeffrey P. Greeley

  • Gaussian-4 theory using reduced order perturbation theory.

    Larry A. Curtiss;Paul C. Redfern;Krishnan Raghavachari

  • Assessment of Gaussian-3 and density functional theories for a larger experimental test set

    Larry A. Curtiss;Krishnan Raghavachari;Paul C. Redfern;John A. Pople

  • Subnanometre platinum clusters as highly active and selective catalysts for the oxidative dehydrogenation of propane.

    Stefan Vajda;Michael J. Pellin;Jeffrey P. Greeley;Christopher L. Marshall

  • Gaussian-3X (G3X) theory : use of improved geometries, zero-point energies, and Hartree-Fock basis sets.

    Larry A. Curtiss;Paul C. Redfern;Krishnan Raghavachari;John A. Pople

  • Assessment of Gaussian-2 and density functional theories for the computation of ionization potentials and electron affinities

    Larry A. Curtiss;Paul C. Redfern;Krishnan Raghavachari;John A. Pople

  • Fluorinated electrolytes for 5 V lithium-ion battery chemistry

    Zhengcheng Zhang;Libo Hu;Huiming Wu;Wei Weng

  • Assessment of Gaussian-3 and density-functional theories on the G3/05 test set of experimental energies

    Larry A. Curtiss;Paul C. Redfern;Krishnan Raghavachari

  • Gaussian-3 theory using coupled cluster energies

    Larry A Curtiss;Krishnan Raghavachari;Paul C Redfern;Anwar G Baboul

  • Assessment of Gaussian-3 and Density Functional Theories for Enthalpies of Formation of C1−C16 Alkanes†

    Paul C. Redfern;Peter Zapol;Larry A. Curtiss;Krishnan Raghavachari

  • G n theory

    Larry A. Curtiss;Paul C. Redfern;Krishnan Raghavachari

  • Gaussian‐2 (G2) theory: Reduced basis set requirements

    Larry A. Curtiss;Paul C. Redfern;Brian J. Smith;Leo Radom

  • Computational studies of catechol and water interactions with titanium oxide nanoparticles.

    P. C. Redfern;P. Zapol;L. A. Curtiss;T. Rajh

  • INVESTIGATION OF THE USE OF B3LYP ZERO-POINT ENERGIES AND GEOMETRIES IN THE CALCULATION OF ENTHALPIES OF FORMATION

    Larry A. Curtiss;Krishnan Raghavachari;Paul C. Redfern;John A. Pople

Frequent Co-Authors

Larry A. Curtiss
Larry A. Curtiss Argonne National Laboratory
Krishnan Raghavachari
Krishnan Raghavachari Indiana University
Khalil Amine
Khalil Amine Argonne National Laboratory
Rajeev S. Assary
Rajeev S. Assary Argonne National Laboratory
Zhengcheng Zhang
Zhengcheng Zhang Argonne National Laboratory
Peter Zapol
Peter Zapol Argonne National Laboratory
Jeffrey Greeley
Jeffrey Greeley Purdue University West Lafayette
Ian Foster
Ian Foster University of Chicago
Stefan Vajda
Stefan Vajda Czech Academy of Sciences
John A. Pople
John A. Pople Stanford University

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