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Vedene H. Smith

Vedene H. Smith

D-Index & Metrics

Chemistry

D-Index
50
Citations
8091
World Ranking
14486
National Ranking
397

Overview

Vedene H. Smith is affiliated with Queen's University in Canada, where the research focuses primarily on materials science and chemistry. Their work spans various subfields including materials chemistry, organic chemistry, radiology, nuclear medicine and imaging, as well as electrical and electronic engineering.

Their research interests cover a range of topics related to nanomaterials and molecular structures, with specific attention to fullerene chemistry and applications, boron and carbon nanomaterials research, and molecular junctions and nanostructures. Additional topics include boron compounds in chemistry and graphene research and applications.

Smith has published several papers at UNC Libraries, concentrating on the structural, electronic, and magnetic properties of complex molecular systems. Notable recent publications include:

  • Structural, electronic, and magnetic properties of heterofullerene C48B12 (2021) at UNC Libraries
  • Tailorable Acceptor C 60 − n B n and Donor C 60 − m N m Pairs for Molecular Electronics (2021) at UNC Libraries
  • First-principles calculations of structural, electronic, vibrational, and magnetic properties of C60 and C48N12: A comparative study (2021) at UNC Libraries

In collaboration, Smith has frequently worked with Garnett W. Bryant, Jijun Zhao, Lasse Jensen, Rui Hua Xie, and Rui-Hua Xie. These partnerships have contributed to the exploration of nanostructures and molecular electronic properties.

The combination of Smith's work in fullerene chemistry with their investigations into boron and carbon nanomaterials situates their research at the intersection of chemistry and advanced materials science. Their cross-disciplinary approach integrates computational methods and experimental analysis in understanding molecular and electronic characteristics of novel materials.

Best Publications

  • Compact and accurate integral-transform wave functions. I. The 1 S 1 state of the helium-like ions from H − through Mg 1 0 +

    Ajit J. Thakkar;Vedene H. Smith

  • Evaluation of 〈S2〉 in restricted, unrestricted Hartree–Fock, and density functional based theories

    Jiahu Wang;Axel D. Becke;Vedene H. Smith

  • Evaluation of Momentum Distributions and Compton Profiles for Atomic and Molecular Systems

    Per Kaijser;Vedene H. Smith

  • Derivation of net atomic charges from molecular electrostatic potentials

    R. J. Woods;M. Khalil;W. Pell;S. H. Moffat

  • The Laplacian of the charge density and its relationship to the shell structure of atoms and ions

    Robin P. Sagar;Andrew C. T. Ku;Vedene H. Smith;Alfredo M. Simas

  • The electron—electron cusp condition for the spherical average of the intracule matrix

    Ajit J. Thakkar;Vedene H. Smith

  • Positronium hydrides and the Ps 2 molecule: Bound-state properties, positron annihilation rates, and hyperfine structure

    Alexei M. Frolov;Vedene H. Smith

  • Characterization of aromatic-thiol π-type hydrogen bonding and phenylalanine-cysteine side chain interactions through ab initio calculations and protein database analyses

    Guilin Duan;Vedene H. Smith;Donald F. Weaver

  • On Different Criteria for the Best Independent‐Particle Model Approximation

    Werner Kutzelnigg;Vedene H. Smith

  • Chemical binding and electron correlation effects in x-ray and high energy electron scattering

    Jiahu Wang;Awadh N. Tripathi;Vedene H. Smith

  • Tailorable acceptor C(60-n)B(n) and donor C(60-m)N(m) pairs for molecular electronics.

    Rui-Hua Xie;Garnett W. Bryant;Jijun Zhao;Vedene H. Smith

  • First-principles calculations of structural, electronic, vibrational, and magnetic properties of C60 and C48N12: A comparative study

    Rui Hua Xie;Garnett W. Bryant;Lasse Jensen;Jijun Zhao

  • Theoretical Determination and Analysis of Electronic Charge Distributions

    Unknown

  • Tailorable AcceptorC60−nBnand DonorC60−mNmPairs for Molecular Electronics

    Rui-Hua Xie;Garnett W. Bryant;Jijun Zhao;Vedene H. Smith

  • Characterization of Aromatic−Amide(Side-Chain) Interactions in Proteins through Systematic ab Initio Calculations and Data Mining Analyses

    Guilin Duan;Vedene H. Smith;Donald F. Weaver

  • Accurate charge densities and two‐electron intracule functions for the heliumlike ions

    Ajit J. Thakkar;Vedene H. Smith

  • Molecular similarity based on information entropies and distances

    Minhhuy Hồ;Vedene H. Smith;Donald F. Weaver;Carlo Gatti

  • Statistical electron correlation coefficients for the five lowest states of the heliumlike ions

    Ajit J. Thakkar;Vedene H. Smith

  • Compact and accurate integral-transform wave functions. II. The 2 /sup 1/S, 2 /sup 3/S, 2 /sup 1/P, and 2 /sup 3/P states of the helium-like ions from He through Mg/sup 10 +/

    Ajit J. Thakkar;Vedene H. Smith

  • Physical interpretation of information entropy: Numerical evidence of the Collins conjecture.

    Rodolfo O. Esquivel;Ana L. Rodríguez;Robin P. Sagar;Minhhuy Hô

  • First-principles calculations of the structural, electronic, vibrational and magnetic properties of C_{60} and C_{48}N_{12}: a comparative study

    Rui-Hua Xie;Garnett W. Bryant;Lasse Jensen;Jijun Zhao

  • The radial charge distribution and the shell structure of atoms and ions

    Alfred M. Simas;Robin P. Sagar;Andrew C. T. Ku;Vedene H. Smith

  • Applied Quantum Chemistry

    Vedene H. Smith;Henry F. Schaefer;Keiji Morokuma

Frequent Co-Authors

Ajit J. Thakkar
Ajit J. Thakkar University of New Brunswick
Garnett W. Bryant
Garnett W. Bryant National Institute of Standards and Technology
Robert J. Woods
Robert J. Woods University of Georgia
Lasse Jensen
Lasse Jensen Pennsylvania State University
Michael C. Baird
Michael C. Baird Queen's University
Geerd H. F. Diercksen
Geerd H. F. Diercksen Max Planck Society
Dennis R. Salahub
Dennis R. Salahub University of Calgary
Werner Kutzelnigg
Werner Kutzelnigg Ruhr University Bochum
Aldo Di Carlo
Aldo Di Carlo University of Rome Tor Vergata
Florian Müller-Plathe
Florian Müller-Plathe Technical University of Darmstadt

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