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Chemistry

D-Index
73
Citations
15169
World Ranking
5122
National Ranking
1590

Overview

James D. Kubicki is affiliated with The University of Texas at El Paso in the United States. Their research spans several interconnected scientific areas with a focus on chemistry, materials, and environmental interactions.

The scientist has contributed to fields of study including Biomaterials, Renewable Energy, Sustainability and the Environment, Plant Science, Environmental Chemistry, and Geochemistry and Petrology.

The primary topics covered in their work include:

  • Iron oxide chemistry and applications
  • Clay minerals and soil interactions
  • Advanced Cellulose Research Studies
  • Polysaccharides and Plant Cell Walls
  • Electrochemical Analysis and Applications
  • Arsenic contamination and mitigation
  • Groundwater and Isotope Geochemistry

Frequent collaborative partners who have coauthored multiple works with Kubicki are:

  • Nadine Kabengi
  • Anastasia Ilgen
  • Jason D. Boettger
  • Vicki H. Grassian
  • Hui Yang

The scientist has published extensively in a range of venues. Most frequent publication outlets include:

  • ACS Earth and Space Chemistry
  • Abstracts with programs - Geological Society of America
  • Goldschmidt2021 abstracts
  • Cellulose
  • Scientific Reports

Selected recent papers authored or coauthored by James D. Kubicki:

  • Oxide- and Silicate-Water Interfaces and Their Roles in Technology and the Environment, 2023, Chemical Reviews
  • A density functional theory study on the shape of the primary cellulose microfibril in plants: effects of C6 exocyclic group conformation and H-bonding, 2020, Cellulose
  • How Many Glucan Chains Form Plant Cellulose Microfibrils? A Mini Review, 2024, Biomacromolecules
  • In Situ and Real-Time ATR-FTIR Temperature-Dependent Adsorption Kinetics Coupled with DFT Calculations of Dimethylarsinate and Arsenate on Hematite Nanoparticles, 2020, Langmuir
  • Adsorption of Organic Acids and Phosphate to an Iron (Oxyhydr)oxide Mineral: A Combined Experimental and Density Functional Theory Study, 2020, The Journal of Physical Chemistry A

Best Publications

  • Photoinduced activation of CO2 on Ti-based heterogeneous catalysts: Current state, chemical physics-based insights and outlook

    Venkata Pradeep Indrakanti;James D. Kubicki;Harold H. Schobert

  • Kinetics of water-rock interaction

    Susan Louise Brantley;James David Kubicki;Art F. White

  • Ion adsorption at the rutile-water interface: linking molecular and macroscopic properties.

    Z. Zhang;Z. Zhang;P. Fenter;L. Cheng;N. C. Sturchio;N. C. Sturchio

  • Electric Double Layer at the Rutile (110) Surface. 1. Structure of Surfaces and Interfacial Water from Molecular Dynamics by Use of ab Initio Potentials

    M. Předota;A. V. Bandura;P. T. Cummings;J. D. Kubicki

  • Development of a reactive force field for iron-oxyhydroxide systems.

    Masoud Aryanpour;Adri C. T. van Duin;James D. Kubicki

  • Attenuated total reflectance Fourier-transform infrared spectroscopy of carboxylic acids adsorbed onto mineral surfaces

    J.D. Kubicki;L.M. Schroeter;M.J. Itoh;B.N. Nguyen

  • Hydrogen-Bonding Network and OH Stretch Vibration of Cellulose: Comparison of Computational Modeling with Polarized IR and SFG Spectra.

    Christopher M. Lee;James D. Kubicki;James D. Kubicki;Bingxin Fan;Linghao Zhong

  • Simulations of the Quartz(1011)/Water Interface: A Comparison of Classical Force Fields, Ab Initio Molecular Dynamics, and X-ray Reflectivity Experiments

    A. A. Skelton;P. Fenter;J. D. Kubicki;D. J. Wesolowski

  • Sorption of the antibiotic ofloxacin to mesoporous and nonporous alumina and silica.

    Keith W. Goyne;Jon Chorover;James D. Kubicki;Andrew R. Zimmerman

  • Derivation of Force Field Parameters for TiO2−H2O Systems from ab Initio Calculations

    A. V. Bandura;J. D. Kubicki

  • Probing cellulose structures with vibrational spectroscopy

    Mohamadamin Makarem;Christopher M. Lee;Kabindra Kafle;Shixin Huang

  • ATR-FTIR spectroscopic characterization of coexisting carbonate surface complexes on hematite

    John R. Bargar;James D. Kubicki;Rebecca Reitmeyer;James A. Davis

  • Dissolution of nepheline, jadeite and albite glasses: toward better models for aluminosilicate dissolution

    James P. Hamilton;Susan L. Brantley;Carlo G. Pantano;Louise J. Criscenti

  • Molecular orbital theory study on surface complex structures of phosphates to iron hydroxides: calculation of vibrational frequencies and adsorption energies.

    Kideok D. Kwon;James D. Kubicki

  • Tertiary model of a plant cellulose synthase

    Latsavongsakda Sethaphong;Candace H. Haigler;James D. Kubicki;Jochen Zimmer

  • Molecular dynamics simulations of SiO 2 melt and glass; ionic and covalent models

    J. D. Kubicki;Antonio C. Lasaga

  • ATR-FTIR and density functional theory study of the structures, energetics, and vibrational spectra of phosphate adsorbed onto goethite.

    James D. Kubicki;Kristian W. Paul;Lara Kabalan;Qing Zhu

  • Quantum chemical study of arsenic (III, V) adsorption on Mn-oxides: implications for arsenic(III) oxidation.

    Mengqiang Zhu;Kristian W Paul;James D Kubicki;Donald L Sparks

  • Quantum Mechanical Modeling of CO2 Interactions with Irradiated Stoichiometric and Oxygen-Deficient Anatase TiO2 Surfaces: Implications for the Photocatalytic Reduction of CO2

    Venkata Pradeep Indrakanti;Harold H. Schobert;James D. Kubicki

  • Adsorption of Water on the TiO2 (Rutile) (110) Surface: A Comparison of Periodic and Embedded Cluster Calculations

    A. V. Bandura;D. G. Sykes;V. Shapovalov;T. N. Troung

Frequent Co-Authors

David J. Wesolowski
David J. Wesolowski Oak Ridge National Laboratory
Paul R. C. Kent
Paul R. C. Kent Oak Ridge National Laboratory
Peter T. Cummings
Peter T. Cummings Heriot-Watt University
Paul Fenter
Paul Fenter Argonne National Laboratory
Donald L. Sparks
Donald L. Sparks University of Delaware
Karl T. Mueller
Karl T. Mueller Pacific Northwest National Laboratory
Susan L. Brantley
Susan L. Brantley Pennsylvania State University
Daniel R. Strongin
Daniel R. Strongin Temple University
Daniel J. Cosgrove
Daniel J. Cosgrove Pennsylvania State University
Seong H. Kim
Seong H. Kim Pennsylvania State University

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