D-Index & Metrics Best Publications

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 55 Citations 10,785 345 World Ranking 8502 National Ranking 2522

Overview

What is he best known for?

The fields of study he is best known for:

  • Quantum mechanics
  • Organic chemistry
  • Molecule

His primary scientific interests are in Ab initio, Atomic physics, Computational chemistry, Basis set and Molecule. His Ab initio research is multidisciplinary, relying on both Crystallography, Bond length, Force field and Ab initio quantum chemistry methods. His research in Atomic physics intersects with topics in Spectral line, Electronic structure, Microwave and Absorption spectroscopy.

His Computational chemistry study combines topics in areas such as Molecular physics, Steric effects, Resonance and Ring. His studies in Basis set integrate themes in fields like Electronic correlation, Dipole, Valence electron, Polarization and Molecular geometry. His work deals with themes such as Basis function and Photochemistry, which intersect with Molecule.

His most cited work include:

  • Systematic AB Initio Gradient Calculation of Molecular Geometries, Force Constants, and Dipole Moment Derivatives (1761 citations)
  • Combination of theoretical ab initio and experimental information to obtain reliable harmonic force constants. Scaled quantum mechanical (QM) force fields for glyoxal, acrolein, butadiene, formaldehyde, and ethylene (1213 citations)
  • Force field, dipole moment derivatives, and vibronic constants of benzene from a combination of experimental and ab initio quantum chemical information (386 citations)

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

His primary areas of study are Ab initio, Computational chemistry, Molecule, Atomic physics and Basis set. His research integrates issues of Bond length, Ab initio quantum chemistry methods, Crystallography, Force field and Molecular physics in his study of Ab initio. His Computational chemistry research is multidisciplinary, incorporating elements of Gaussian orbital, Steric effects, Bond order, Ring and Double bond.

His research in Molecule tackles topics such as Electron diffraction which are related to areas like Rotational spectroscopy. His Atomic physics research includes elements of Dipole, Coupled cluster and Microwave. The concepts of his Basis set study are interwoven with issues in Electronic correlation and Anharmonicity.

He most often published in these fields:

  • Ab initio (38.16%)
  • Computational chemistry (29.21%)
  • Molecule (27.63%)

What were the highlights of his more recent work (between 1997-2014)?

  • Atomic physics (26.58%)
  • Ab initio (38.16%)
  • Ab initio quantum chemistry methods (17.37%)

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

James E. Boggs mainly investigates Atomic physics, Ab initio, Ab initio quantum chemistry methods, Ground state and Molecule. His Atomic physics research incorporates elements of Spectral line, Dipole, Coupled cluster and Spin–orbit interaction. The study incorporates disciplines such as Force field, Valence, Molecular physics, Basis set and Computational chemistry in addition to Ab initio.

He has included themes like Thermochemistry, Eigenfunction, Hamiltonian, Anharmonicity and Molecular geometry in his Basis set study. His study in Ab initio quantum chemistry methods is interdisciplinary in nature, drawing from both Electronic structure, Potential energy and Distortion. His Molecule research incorporates elements of Symmetry and Bent molecular geometry.

Between 1997 and 2014, his most popular works were:

  • IUPAC Critical Evaluation of Thermochemical Properties of Selected Radicals. Part I (233 citations)
  • On the Covalent Character of Rare Gas Bonding Interactions: A New Kind of Weak Interaction (74 citations)
  • The equilibrium N H bond length (49 citations)

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

  • Quantum mechanics
  • Organic chemistry
  • Molecule

His primary areas of investigation include Ab initio quantum chemistry methods, Atomic physics, Molecule, Computational chemistry and Ab initio. His Ab initio quantum chemistry methods research includes elements of Jahn–Teller effect, Excited state, Electronic structure and Fluorine. His Atomic physics study incorporates themes from Atomic radius and Scalar.

The various areas that James E. Boggs examines in his Molecule study include Crystallography, Spectroscopy and Molecular physics. His biological study spans a wide range of topics, including Pharmacophore, Bond order, Molecular model and Difluorocarbene. His work deals with themes such as Bond length, Basis set and Hamiltonian, which intersect with 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

Systematic AB Initio Gradient Calculation of Molecular Geometries, Force Constants, and Dipole Moment Derivatives

P. Pulay;G. Fogarasi;F. Pang;J. E. Boggs.
Journal of the American Chemical Society (1979)

2362 Citations

Combination of theoretical ab initio and experimental information to obtain reliable harmonic force constants. Scaled quantum mechanical (QM) force fields for glyoxal, acrolein, butadiene, formaldehyde, and ethylene

Peter Pulay;Geza Fogarasi;Gabor Pongor;James E. Boggs.
Journal of the American Chemical Society (1983)

2083 Citations

Force field, dipole moment derivatives, and vibronic constants of benzene from a combination of experimental and ab initio quantum chemical information

P. Pulay;G. Fogarasi;J. E. Boggs.
Journal of Chemical Physics (1981)

540 Citations

IUPAC Critical Evaluation of Thermochemical Properties of Selected Radicals. Part I

Branko Ruscic;James E. Boggs;Alexander Burcat;Attila G. Császár.
Journal of Physical and Chemical Reference Data (2005)

332 Citations

Cubic force constants and equilibrium geometry of methane from Hartree–Fock and correlated wavefunctions

Péter Pulay;Wilfried Meyer;James E. Boggs.
Journal of Chemical Physics (1978)

275 Citations

Collision Broadening of Rotational Absorption Lines. I. Theoretical Formulation

Joseph S. Murphy;James E. Boggs.
Journal of Chemical Physics (1967)

242 Citations

Theoretical prediction of vibrational spectra. 2. Force field, spectroscopically refined geometry, and reassignment of the vibrational spectrum of naphthalene

Harrell Sellers;Peter Pulay;James E. Boggs.
Journal of the American Chemical Society (1985)

183 Citations

Theoretical Prediction of Vibrational Spectra. 1. The In-Plane Force Field and Vibrational Spectra of Pyridine

G. Pongor;P. Pulay;G. Fogarasi;J. E. Boggs.
Journal of the American Chemical Society (1984)

183 Citations

Importance of (p-d).pi. bonding in the siloxane bond

Heinz Oberhammer;James E. Boggs.
Journal of the American Chemical Society (1980)

160 Citations

A systematic study of the convergence and additivity of correlation and basis set effects on the force constants of small molecules: HF, HCN, and NH3

Péter Pulay;Jung‐Goo Lee;James E. Boggs.
Journal of Chemical Physics (1983)

146 Citations

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