Variational Energies and Spin Diagnostics for P450 Compound I across Three Active Spaces, CAS(17,15), CAS(25,23), and CAS(33,31).

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Publication Details

Journal
Zenodo (CERN European Organization for Nuclear Research)
Published
2026-05-12
DOI
https://doi.org/10.5281/zenodo.20139491
Primary Topic
Pharmacogenetics and Drug Metabolism
Type
article
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article

Variational Energies and Spin Diagnostics for P450 Compound I across Three Active Spaces, CAS(17,15), CAS(25,23), and CAS(33,31).

U. Bäcker
Zenodo (CERN European Organization for Nuclear Research)
Pharmacogenetics and Drug Metabolism
article

Variational Energies and Spin Diagnostics for P450 Compound I across Three Active Spaces, CAS(17,15), CAS(25,23), and CAS(33,31).

U. Bäcker
article en

Abstract

No abstract available for this paper.
Zenodo (CERN European Organization for Nuclear Research)
Bochum University of Applied Sciences (DE)
Affordable and clean energy
Openalex Percentile: Top 5%
Pharmacogenetics and Drug Metabolism
DOIOpen Access PDFOpenAlex
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Variational Energies and Spin Diagnostics for P450 Compound I across Three Active Spaces, CAS(17,15), CAS(25,23), and CAS(33,31). — U. Bäcker · Zenodo (CERN European Organization for Nuclear Research) (2026) | TGRS Research Map | TGRS