D-Index & Metrics Best Publications
Chemistry
Sweden
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 101 Citations 35,976 458 World Ranking 676 National Ranking 8

Research.com Recognitions

Awards & Achievements

2023 - Research.com Chemistry in Sweden Leader Award

2022 - Research.com Chemistry in Sweden Leader Award

Overview

What is he best known for?

The fields of study he is best known for:

  • Enzyme
  • Catalysis
  • Organic chemistry

Per E. M. Siegbahn spends much of his time researching Computational chemistry, Photochemistry, Density functional theory, Stereochemistry and Photosystem II. His Computational chemistry research includes themes of Electronic correlation, Cluster, Configuration interaction, Quantum and Statistical physics. Per E. M. Siegbahn interconnects Crystallography, Hydrogen atom, Heme, Molecule and Proton in the investigation of issues within Photochemistry.

Per E. M. Siegbahn has included themes like Quantum chemical, Bond cleavage, Transition metal, Metal and Reaction mechanism in his Density functional theory study. His work deals with themes such as Medicinal chemistry, Protonation, Catalysis, Active site and Hydrogen atom abstraction, which intersect with Stereochemistry. His Photosystem II research is multidisciplinary, incorporating elements of Ligand, Radical, Manganese and Oxygen.

His most cited work include:

  • The complete active space SCF (CASSCF) method in a Newton–Raphson formulation with application to the HNO molecule (762 citations)
  • A new intermolecular interaction: unconventional hydrogen bonds with element-hydride bonds as proton acceptor. (464 citations)
  • A Comparison of the Super-CI and the Newton-Raphson Scheme in the Complete Active Space SCF Method (448 citations)

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

Per E. M. Siegbahn mainly focuses on Photochemistry, Computational chemistry, Density functional theory, Stereochemistry and Catalysis. His biological study spans a wide range of topics, including Catalytic cycle, Bond cleavage, Ligand and Photosystem II. The various areas that he examines in his Computational chemistry study include Crystallography, Transition metal, Physical chemistry and Configuration interaction, Molecule.

As a part of the same scientific study, Per E. M. Siegbahn usually deals with the Density functional theory, concentrating on Chemical physics and frequently concerns with Atomic physics. His studies in Stereochemistry integrate themes in fields like Active site, Enzyme, Substrate, Hydroxylation and Ring. His Catalysis study combines topics from a wide range of disciplines, such as Inorganic chemistry and Medicinal chemistry.

He most often published in these fields:

  • Photochemistry (25.16%)
  • Computational chemistry (19.50%)
  • Density functional theory (17.19%)

What were the highlights of his more recent work (between 2012-2021)?

  • Catalysis (16.35%)
  • Photochemistry (25.16%)
  • Ligand (10.90%)

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

His primary areas of study are Catalysis, Photochemistry, Ligand, Density functional theory and Reaction mechanism. Per E. M. Siegbahn has researched Catalysis in several fields, including Inorganic chemistry, Manganese and Quantum chemical. His Photochemistry research integrates issues from Catalytic cycle, Bond cleavage, Catalytic oxidation and Photosystem II.

His Ligand research focuses on Stereochemistry and how it connects with Cofactor. His study focuses on the intersection of Density functional theory and fields such as Cluster with connections in the field of Nickel. The various areas that Per E. M. Siegbahn examines in his Reaction mechanism study include Molecule, Nucleophile and Active site.

Between 2012 and 2021, his most popular works were:

  • Quantum chemical studies of mechanisms for metalloenzymes. (311 citations)
  • Water oxidation mechanism in photosystem II, including oxidations, proton release pathways, O―O bond formation and O2 release ☆ (239 citations)
  • Electrocatalytic water oxidation by a dinuclear copper complex in a neutral aqueous solution. (138 citations)

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

  • Enzyme
  • Quantum mechanics
  • Catalysis

Per E. M. Siegbahn focuses on Photochemistry, Photosystem II, Ligand, Catalysis and Manganese. His work carried out in the field of Photochemistry brings together such families of science as Redox, Nucleophile and Copper. His Photosystem II study combines topics in areas such as Bond formation, Protonation, Density functional theory and Cluster.

His Ligand research is multidisciplinary, relying on both Polymer chemistry, Molecule, Metal, Catalytic oxidation and Electron acceptor. The study incorporates disciplines such as Inorganic chemistry, Amorphous solid and Oxidizing agent in addition to Catalysis. His Electron transport chain research integrates issues from Computational chemistry and Stereochemistry.

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

The complete active space SCF (CASSCF) method in a Newton–Raphson formulation with application to the HNO molecule

Per E. M. Siegbahn;Jan Almlöf;Anders Heiberg;Björn O. Roos.
Journal of Chemical Physics (1981)

1354 Citations

A Comparison of the Super-CI and the Newton-Raphson Scheme in the Complete Active Space SCF Method

Per Siegbahn;Anders Heiberg;Björn Roos;Bernard Levy.
Physica Scripta (1980)

769 Citations

Transition-metal systems in biochemistry studied by high-accuracy quantum chemical methods.

Per E. M. Siegbahn;Margareta R. A. Blomberg.
Chemical Reviews (2000)

742 Citations

A new intermolecular interaction: unconventional hydrogen bonds with element-hydride bonds as proton acceptor.

Robert H. Crabtree;Per E. M. Siegbahn;Odile Eisenstein;Arnold L. Rheingold.
Accounts of Chemical Research (1996)

709 Citations

Structures and energetics for O2 formation in photosystem II.

Per E. M. Siegbahn.
Accounts of Chemical Research (2009)

661 Citations

Unconventional Hydrogen Bonds: Intermolecular B-H.cntdot..cntdot..cntdot.H-N Interactions

Thomas Richardson;Susan de Gala;Robert H. Crabtree;Per E. M. Siegbahn.
Journal of the American Chemical Society (1995)

573 Citations

Gaussian basis sets for the first and second row atoms

B. Roos;P. Siegbahn.
Theoretical Chemistry Accounts (1970)

567 Citations

Polarization Functions for First and Second Row Atoms in Gaussian Type MO-SCF Calculations

B. Roos;P. Siegbahn.
Theoretical Chemistry Accounts (1970)

482 Citations

Quantum chemical studies of mechanisms for metalloenzymes.

Margareta R. A. Blomberg;Tomasz Borowski;Fahmi Himo;Rong-Zhen Liao.
Chemical Reviews (2014)

467 Citations

Computational studies of [NiFe] and [FeFe] hydrogenases.

Per E. M. Siegbahn;Jesse W. Tye;Michael B. Hall.
Chemical Reviews (2007)

462 Citations

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