D-Index & Metrics Best Publications
Chemistry
Australia
2023

D-Index & Metrics D-index (Discipline H-index) only includes papers and citation values for an examined discipline in contrast to General H-index which accounts for publications across all disciplines.

Discipline name D-index D-index (Discipline H-index) only includes papers and citation values for an examined discipline in contrast to General H-index which accounts for publications across all disciplines. Citations Publications World Ranking National Ranking
Chemistry D-index 97 Citations 45,245 572 World Ranking 794 National Ranking 19

Research.com Recognitions

Awards & Achievements

2023 - Research.com Chemistry in Australia Leader Award

1988 - Fellow of the Australian Academy of Science

Overview

What is he best known for?

The fields of study he is best known for:

  • Organic chemistry
  • Quantum mechanics
  • Molecule

His primary areas of investigation include Computational chemistry, Ab initio, Molecular orbital theory, Electronic structure and Molecular orbital. His Computational chemistry research integrates issues from Molecule, Ab initio quantum chemistry methods and Physical chemistry. His work carried out in the field of Ab initio brings together such families of science as Radical ion, Crystallography, Proton affinity and Thermodynamics.

His work is dedicated to discovering how Molecular orbital theory, Non-bonding orbital are connected with Molecular orbital diagram and other disciplines. Leo Radom interconnects Chemical physics and Molecular physics in the investigation of issues within Electronic structure. His Density functional theory study combines topics in areas such as Hartree–Fock method and Harmonic.

His most cited work include:

  • Harmonic Vibrational Frequencies: An Evaluation of Hartree−Fock, Møller−Plesset, Quadratic Configuration Interaction, Density Functional Theory, and Semiempirical Scale Factors (5211 citations)
  • An Evaluation of Harmonic Vibrational Frequency Scale Factors (1746 citations)
  • Extension of Gaussian-2 (G2) theory to molecules containing third-row atoms K and Ca (705 citations)

What are the main themes of his work throughout his whole career to date?

Leo Radom focuses on Computational chemistry, Ab initio, Molecular orbital, Molecular orbital theory and Ab initio quantum chemistry methods. Radical is closely connected to Molecule in his research, which is encompassed under the umbrella topic of Computational chemistry. He has researched Ab initio in several fields, including Crystallography, Standard enthalpy of formation, Dissociation, Physical chemistry and Density functional theory.

His studies link Thermodynamics with Density functional theory. His biological study spans a wide range of topics, including Electronic structure and Non-bonding orbital. His Ab initio quantum chemistry methods research incorporates elements of Supramolecular chemistry and Quantum chemistry.

He most often published in these fields:

  • Computational chemistry (44.02%)
  • Ab initio (33.49%)
  • Molecular orbital (16.27%)

What were the highlights of his more recent work (between 2004-2019)?

  • Computational chemistry (44.02%)
  • Stereochemistry (9.89%)
  • Radical (9.73%)

In recent papers he was focusing on the following fields of study:

Leo Radom spends much of his time researching Computational chemistry, Stereochemistry, Radical, Quantum chemistry and Density functional theory. His Computational chemistry research incorporates themes from Hydrogen atom abstraction, Ab initio, Molecule and Statistical physics. Leo Radom combines subjects such as Hydrogen bond and Molecular orbital with his study of Ab initio.

His Radical research also works with subjects such as

  • Thermochemistry together with Ionization energy, Atomic physics and Spectroscopy,
  • Medicinal chemistry together with Organic chemistry and Carbon centered radicals. His Quantum chemistry study combines topics from a wide range of disciplines, such as Photochemistry and Intramolecular force. Leo Radom has included themes like Hartree–Fock method, Ab initio quantum chemistry methods and Thermodynamics in his Density functional theory study.

Between 2004 and 2019, his most popular works were:

  • An Evaluation of Harmonic Vibrational Frequency Scale Factors (1746 citations)
  • Trends in R-X bond dissociation energies (R = Me, Et, i-Pr, t-Bu; X = H, CH3, OCH3, OH, F): a surprising shortcoming of density functional theory. (176 citations)
  • A restricted-open-shell complete-basis-set model chemistry (146 citations)

In his most recent research, the most cited papers focused on:

  • Organic chemistry
  • Quantum mechanics
  • Molecule

Computational chemistry, Basis set, Density functional theory, Dissociation and Catalysis are his primary areas of study. His studies deal with areas such as Quantum chemistry, Statistical physics and Open shell as well as Computational chemistry. His Basis set research is multidisciplinary, incorporating perspectives in Basis, Radical, Wave function and Thermochemistry.

His work deals with themes such as Molecular physics and Enthalpy, Thermodynamics, which intersect with Density functional theory. His Catalysis research incorporates themes from Ionic bonding, Ab initio, Adenosylcobalamin and SN2 reaction. The study incorporates disciplines such as Methanol, Inorganic chemistry, Solvation, Zeolite and Molecular orbital in addition to Ab initio.

This overview was generated by a machine learning system which analysed the scientist’s body of work. If you have any feedback, you can contact us here.

Best Publications

Harmonic Vibrational Frequencies: An Evaluation of Hartree−Fock, Møller−Plesset, Quadratic Configuration Interaction, Density Functional Theory, and Semiempirical Scale Factors

Anthony P. Scott;Leo Radom.
The Journal of Physical Chemistry (1996)

9716 Citations

An Evaluation of Harmonic Vibrational Frequency Scale Factors

Jeffrey P. Merrick;Damian Moran;Leo Radom.
Journal of Physical Chemistry A (2007)

2054 Citations

Molecular orbital theory of the electronic structure of organic compounds. V. Molecular theory of bond separation

Warren J. Hehre;R. Ditchfield;L. Radom;John A. Pople.
Journal of the American Chemical Society (1970)

1171 Citations

Scaling Factors for Obtaining Fundamental Vibrational Frequencies and Zero-Point Energies from HF/6–31G* and MP2/6–31G* Harmonic Frequencies

John A. Pople;John A. Pople;Anthony P. Scott;Ming Wah Wong;Leo Radom.
Israel Journal of Chemistry (1993)

972 Citations

Extension of Gaussian-2 (G2) theory to molecules containing third-row atoms K and Ca

Jean-Philippe Blaudeau;Mark P. McGrath;Larry A. Curtiss;Leo Radom.
Journal of Chemical Physics (1995)

957 Citations

Factors Controlling the Addition of Carbon‐Centered Radicals to Alkenes—An Experimental and Theoretical Perspective

Hanns Fischer;Leo Radom.
Angewandte Chemie (2001)

836 Citations

Extension of Gaussian‐1 (G1) theory to bromine‐containing molecules

Mark P. McGrath;Leo Radom.
Journal of Chemical Physics (1991)

727 Citations

Molecular orbital theory of the electronic structure of organic compounds. XIII. Fourier component analysis of internal rotation potential functions in saturated molecules

Leo Radom;Warren J. Hehre;John A. Pople.
Journal of the American Chemical Society (1972)

573 Citations

Extension of Gaussian‐2 (G2) theory to bromine‐ and iodine‐containing molecules: Use of effective core potentials

Mikhail N. Glukhovtsev;Addy Pross;Mark P. McGrath;Leo Radom.
Journal of Chemical Physics (1995)

543 Citations

Molecular orbital theory of the electronic structure of organic compounds. VIII. Geometries, energies, and polarities of C3 hydrocarbons

L. Radom;W. A. Lathan;W. J. Hehre;J. A. Pople.
Journal of the American Chemical Society (1971)

469 Citations

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