Application of quantum chemical models in chemistry and physics

Project funded by Swedish Research Council (Project grant), grant 2010-05027_VR. Participating organisations named by the source: Stockholm University. Funded amount: SEK 900,000, as stated by the source. Runs 2011-01-01 to 2012-12-31. Keywords: Oklassificerat, Unclassified. Source: OpenAIRE Graph, from the funder's project data (collected by OpenAIRE on 2025-12-06); national funding data, not CORDIS. Abstract given by the source: This project is a continuation project under the same general title as used previously. During the past decade the focus has been on mechanisms for enzymes containing transition metals. The two main projects concern O-O bond formation in photosystem II, and proton pumping in cytochrome c oxidase. For both projects major breakthroughs have been obtained during the past application period. In the coming period these new findings will be followed up by detailed studies. Enzymes that will also be studied further are MnFe-containing ribonucleotide reductase, tyrosinase, cobalamine containing enzymes, and others. Models and methods will be continually developed with emphasis on large quantum mechanical models, with now up to 250 atoms, for which excellent experience has been obtained.

Original source.

Source: OpenAIRE Graph: projects of national funders, OpenAIRE, from the project data of Swedish Research Council. Retrieved 2026-10-28. Licence: Creative Commons Attribution 4.0 (OpenAIRE Graph). Selected metadata, adapted presentation; the publisher's record is authoritative. No endorsement by the source is implied. Licence: Creative Commons Attribution 4.0 (CC BY 4.0).

AI-assisted summary: The project, funded by the Swedish Research Council with SEK 900,000, runs from 2011 to 2012 at Stockholm University. It focuses on quantum chemical models in studying enzyme mechanisms, particularly in photosystem II and cytochrome c oxidase. Suggested technology pillar: simulation. Generated by AI from the public source text; it may contain errors and the original source is authoritative.