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 76 Citations 43,563 274 World Ranking 2424 National Ranking 912

Research.com Recognitions

Awards & Achievements

2008 - Fellow of the American Association for the Advancement of Science (AAAS)

2007 - Fellow of American Physical Society (APS) Citation For his significant contributions to the development of electronic structure methods and computer codes for the simulation of molecular properties and reactivity

Overview

What is he best known for?

The fields of study he is best known for:

  • Quantum mechanics
  • Organic chemistry
  • Molecule

Michel Dupuis mainly investigates Computational chemistry, Ab initio, Atomic physics, Molecular physics and Molecule. His work carried out in the field of Ab initio brings together such families of science as Oxide, Silicon, Ab initio quantum chemistry methods, Basis set and Hartree–Fock method. Michel Dupuis interconnects Condensed matter physics and Electron transfer in the investigation of issues within Ab initio quantum chemistry methods.

The Hartree–Fock method study combines topics in areas such as GAMESS, Fragment molecular orbital, Computational science and Full configuration interaction. His Atomic physics study combines topics from a wide range of disciplines, such as Polaron and Electronic structure. His study on Molecular physics also encompasses disciplines like

  • Polarizability that intertwine with fields like Urea,
  • Electronic correlation which is related to area like Field.

His most cited work include:

  • General atomic and molecular electronic structure system (15328 citations)
  • Frontiers, Opportunities, and Challenges in Biochemical and Chemical Catalysis of CO2 Fixation (1041 citations)
  • Evaluation of molecular integrals over Gaussian basis functions (637 citations)

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

Michel Dupuis focuses on Ab initio, Computational chemistry, Atomic physics, Molecular physics and Electronic structure. His Ab initio research is multidisciplinary, relying on both Ab initio quantum chemistry methods, Crystallography, Polarizability, Basis set and Molecular orbital. Michel Dupuis regularly ties together related areas like Physical chemistry in his Ab initio quantum chemistry methods studies.

Michel Dupuis is interested in Hartree–Fock method, which is a field of Computational chemistry. As part of the same scientific family, Michel Dupuis usually focuses on Atomic physics, concentrating on Electron and intersecting with Electron transfer and Density functional theory. The Molecule study combines topics in areas such as Chemical physics and Inorganic chemistry.

He most often published in these fields:

  • Ab initio (31.37%)
  • Computational chemistry (21.57%)
  • Atomic physics (20.59%)

What were the highlights of his more recent work (between 2011-2020)?

  • Density functional theory (15.69%)
  • Catalysis (7.19%)
  • Inorganic chemistry (9.15%)

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

His primary areas of study are Density functional theory, Catalysis, Inorganic chemistry, Electron and Polaron. His study explores the link between Density functional theory and topics such as Molecular physics that cross with problems in Electron transfer, Valence electron, Atom and Bismuth vanadate. His Inorganic chemistry research includes elements of Artificial photosynthesis, Molecule, Imide and Dissociation.

His Electron research integrates issues from Oxygen evolution, Overpotential and Oxygen. His biological study spans a wide range of topics, including Chemical physics, Electron mobility, Doping, Semiconductor and Electronic structure. His study looks at the relationship between Condensed matter physics and fields such as Crystallography, as well as how they intersect with chemical problems.

Between 2011 and 2020, his most popular works were:

  • Frontiers, Opportunities, and Challenges in Biochemical and Chemical Catalysis of CO2 Fixation (1041 citations)
  • Water oxidation on a mononuclear manganese heterogeneous catalyst (101 citations)
  • Water oxidation on a mononuclear manganese heterogeneous catalyst (101 citations)

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

  • Quantum mechanics
  • Organic chemistry
  • Hydrogen

His scientific interests lie mostly in Inorganic chemistry, Hydride, Computational chemistry, Catalysis and Organic chemistry. The various areas that Michel Dupuis examines in his Inorganic chemistry study include Heterogeneous catalysis, Manganese, Overpotential, Artificial photosynthesis and Oxygen evolution. His Hydride research incorporates themes from Protonation and Amine gas treating.

Michel Dupuis studies Computational chemistry, namely Ab initio molecular dynamics. Michel Dupuis has included themes like Redox, Steric effects and Physical chemistry in his Catalysis study. His work in Monoclinic crystal system addresses issues such as Density functional theory, which are connected to fields such as Thermodynamics, Oxygen reduction, Triclinic crystal system and Crystal.

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

General atomic and molecular electronic structure system

Michael W. Schmidt;Kim K. Baldridge;Jerry A. Boatz;Steven T. Elbert.
Journal of Computational Chemistry (1993)

23142 Citations

Frontiers, Opportunities, and Challenges in Biochemical and Chemical Catalysis of CO2 Fixation

Aaron M. Appel;John E. Bercaw;Andrew B. Bocarsly;Holger Dobbek.
Chemical Reviews (2013)

1645 Citations

Evaluation of molecular integrals over Gaussian basis functions

Michel Dupuis;John Rys;Harry F. King.
Journal of Chemical Physics (1976)

1019 Citations

High performance computational chemistry: An overview of NWChem a distributed parallel application

Ricky A. Kendall;Edoardo Aprà;David E. Bernholdt;Eric J. Bylaska.
Computer Physics Communications (2000)

864 Citations

Ab initio analytic polarizability, first and second hyperpolarizabilities of large conjugated organic molecules: Applications to polyenes C4H6 to C22H24

Graham J. B. Hurst;Michel Dupuis;Enrico Clementi.
Journal of Chemical Physics (1988)

651 Citations

Role of water in electron-initiated processes and radical chemistry: issues and scientific advances.

Bruce C Garrett;David A Dixon;Donald M Camaioni;Daniel M Chipman.
Chemical Reviews (2005)

610 Citations

Electric-field induced intramolecular electron transfer in spiro .pi.-electron systems and their suitability as molecular electronic devices. A theoretical study

Abbas Farazdel;Michel Dupuis;Enrico Clementi;Ari Aviram.
Journal of the American Chemical Society (1990)

495 Citations

Ab initio study of the nonlinear optical properties of urea: Electron correlation and dispersion effects

C. Adant;Michel Dupuis;J. L. Bredas.
International Journal of Quantum Chemistry (1995)

482 Citations

Frequency dependent nonlinear optical properties of molecules: formulation and implementation in the HONDO program

S. P. Karna;M. Dupuis.
Journal of Computational Chemistry (1991)

481 Citations

Electron transport via polaron hopping in bulk Ti O 2 : A density functional theory characterization

N. Aaron Deskins;Michel Dupuis.
Physical Review B (2007)

442 Citations

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