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Charles W. Bauschlicher

Charles W. Bauschlicher

D-Index & Metrics

Chemistry

D-Index
100
Citations
33624
World Ranking
1285
National Ranking
493

Physics

D-Index
96
Citations
33865
World Ranking
1875
National Ranking
971

Overview

Charles W. Bauschlicher is a researcher affiliated with the Ames Research Center in the United States. Their work primarily spans the fields of Materials Science and Engineering, with significant contributions in subfields such as Materials Chemistry, Electrical and Electronic Engineering, Organic Chemistry, Catalysis, and Renewable Energy, Sustainability and the Environment.

The scientist's main research topics include:

  • Catalytic Processes in Materials Science
  • Advanced Battery Materials and Technologies
  • Advancements in Battery Materials
  • Thermal and Kinetic Analysis
  • Nuclear Materials and Properties
  • Chemical Thermodynamics and Molecular Structure
  • High-pressure Geophysics and Materials

Bauschlicher has published notable papers across various interdisciplinary journals. Selected recent publications include:

  • "The NASA Ames PAH IR Spectroscopic Database: The Laboratory Spectra," 2020, The Astrophysical Journal Supplement Series
  • "Reaction of Singlet Oxygen with the Ethylene Group: Implications for Electrolyte Stability in Li-Ion and Li-O2 Batteries," 2021, The Journal of Physical Chemistry A
  • "Suppression of Parasitic Chemistry in Li-O2 Batteries Incorporating Thianthrene-Based Proposed Redox Mediators," 2020, ACS Applied Energy Materials
  • "Modeling Singlet Oxygen-Induced Degradation Pathways Including Environmental Effects of 1,2-Dimethoxyethane in Li-O2 Batteries through Density Functional Theory," 2022, The Journal of Physical Chemistry A
  • "Computational Chemistry Derivation of Cr, Mn, and La Hydroxide and Oxyhydroxide Thermodynamics," 2022, The Journal of Physical Chemistry A

The frequent publication venues where Bauschlicher's work appears include:

  • The Journal of Physical Chemistry A
  • Journal of the American Ceramic Society
  • The Journal of Physical Chemistry C
  • The Astrophysical Journal Supplement Series
  • ACS Applied Energy Materials

Frequent coauthors of Bauschlicher comprise:

  • Nathan Jacobson
  • J. Wayne Mullinax
  • John W. Lawson
  • Justin B. Haskins
  • Pedro L. Arrechea

Best Publications

  • The rich 6 to 9 vec mu m spectrum of interstellar PAHs

    E. Peeters;S. Hony;C. van Kerckhoven;A.G.G.M. Tielens

  • The rich 6 to 9 um spectrum of interstellar PAHs

    E. Peeters;S. Hony;C. Van Kerckhoven;A.G.G.M. Tielens

  • A new analysis of charge transfer and polarization for ligand–metal bonding: Model studies of Al4CO and Al4NH3

    Paul S. Bagus;K. Hermann;Charles W. Bauschlicher

  • Spectroscopic and theoretical investigations of vibrational frequencies in binary unsaturated transition-metal carbonyl cations, neutrals, and anions.

    Mingfei Zhou;Lester Andrews;Charles W. Bauschlicher

  • A comparison of the accuracy of different functionals

    Charles W. Bauschlicher

  • CO2 adsorption in single-walled carbon nanotubes

    Martin Cinke;Jing Li;Charles W. Bauschlicher;Alessandra Ricca

  • Theoretical studies of the first- and second-row transition-metal methyls and their positive ions

    Charles W. Bauschlicher;Stephen R. Langhoff;Harry Partridge;Leslie A. Barnes

  • Variations in the Peak Position of the 6.2 μm Interstellar Emission Feature: A Tracer of N in the Interstellar Polycyclic Aromatic Hydrocarbon Population

    Douglas M. Hudgins;Charles W. Bauschlicher;L. J. Allamandola

  • The sensitivity of B3LYP atomization energies to the basis set and a comparison of basis set requirements for CCSD(T) and B3LYP

    Charles W. Bauschlicher;Harry Partridge

  • Theoretical study of the first transition row oxides and sulfides

    Charles W. Bauschlicher;Phillippe Maitre

  • A full CI treatment of the 1A1-3B1 separation in methylene

    Charles W. Bauschlicher;Peter R. Taylor

  • Benchmark full configuration-interaction calculations on H2O, F- and F

    Charles W. Bauschlicher;Peter R. Taylor

  • Theoretical study of transition-metal ions bound to benzene

    Charles W. Bauschlicher;Harry Partridge;Stephen R. Langhoff

  • Successive Binding Energies of Fe(CO)5

    Alessandra Ricca;Charles W. Jr. Bauschlicher

  • Structure and energetics of simple carbenes methylene, fluoromethylene, chloromethylene, bromomethylene, difluoromethylene, and dichloromethylene

    Charles W. Bauschlicher;Henry F. Schaefer;Paul S. Bagus

  • Line Intensities and Molecular Opacities of the FeH F 4?i-X 4?i Transition

    M. Dulick;C. W. Bauschlicher;Adam S. Burrows;C. M. Sharp

  • Bonding of CO to metal surfaces: A new interpretation

    Paul S. Bagus;Constance J. Nelin;Charles W. Bauschlicher

  • A theoretical study of the positive and dipositive ions of M(NH3)n and M(H2O)n for M = Mg, Ca, or Sr

    Charles W. Bauschlicher;Mariona Sodupe;Harry Partridge

  • The Calculation of Accurate Harmonic Frequencies of Large Molecules: The Polycyclic Aromatic Hydrocarbons, a Case Study

    Charles W. Bauschlicher;Stephen R. Langhoff

  • The metal-carbonyl bond in Ni(CO) 4 and Fe(CO) 5 : A clear-cut analysis

    Charles W. Bauschlicher;Paul S. Bagus

Frequent Co-Authors

Harry Partridge
Harry Partridge Ames Research Center
Stephen R. Langhoff
Stephen R. Langhoff Ames Research Center
Louis J. Allamandola
Louis J. Allamandola Ames Research Center
Peter R. Taylor
Peter R. Taylor Tianjin University
Lester Andrews
Lester Andrews University of Virginia
Mariona Sodupe
Mariona Sodupe Autonomous University of Barcelona
Stephen P. Walch
Stephen P. Walch Stanford University
Timothy J. Lee
Timothy J. Lee Ames Research Center
Peter F. Bernath
Peter F. Bernath Old Dominion University

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